X5J4R0_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4R0, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 115 aa.

						>X5J4R0_MOUSE|X5J4R0
GGLVKPGGSLKLSCAASGFAFSSYDMSWVRQTPEKRLEWVAYISSGGGSTYYPDTVKGRFTISRDNAKNTLYLQMSSLKSEDTAMYYCARDAGDGNHVFYYFDYWGQGTTLTVSS
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	G	67.8	Low	92.7	Very high	69 Å²	69	68.7 Å²	68.7	71%	0.711	44%	0.44	S	S	*	.				0	171.1	0	0	0	0	0	0	108.9	T109 T110	G1-T109 WeakPolarHBondContact CA-OG1 3.36Å; G1-T109 PolarHBondContact N-OG1 3.42Å; G1-T110 CarbonylContact C-O 3.52Å; G1-T110 WeakPolarHBondContact CA-O 3.41Å
2	G	88.8	Confident	93.1	Very high	25 Å²	25	63.6 Å²	63.6	26%	0.258	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.1	155.9	-178.5	0	0	0	0	0	113	T110 L111 T112	G2-T110 PolarHBondContact N-O 3.25Å; G2-T110 VanDerWaalsContact N-O 3.08Å; G2-L111 WeakPolarHBondContact O-CD1 3.44Å; G2-T112 PolarHBondContact O-N 3.06Å
3	L	92.8	Very high	93.5	Very high	125 Å²	125	64.9 Å²	64.9	65%	0.654	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.7	125.9	167.7	177	62.7	0	0	0	108.1	T112 S114	L3-T112 WeakPolarHBondContact CA-O 3.28Å; L3-T112 HydrophobicContact CD1-CG2 3.77Å; L3-S114 WeakPolarHBondContact CD1-OG 3.41Å
4	V	95.3	Very high	93.7	Very high	22 Å²	22	61.6 Å²	61.6	13%	0.133	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	144.1	-177.7	-167.9	0	0	0	0	109.1	L10 L78 L111 T112 V113 S114	V4-L10 HydrophobicContact CG2-CB 4.11Å; V4-L10 HydrophobicContact CG2-CD2 4.28Å; V4-L78 HydrophobicContact CB-CD1 4.13Å; V4-L78 HydrophobicContact CG1-CD1 4.02Å; V4-L78 HydrophobicContact CG2-CD1 4.23Å; V4-L111 HydrophobicContact CG2-CD1 4.01Å; V4-T112 PolarHBondContact N-O 3.03Å; V4-V113 VanDerWaalsContact O-CA 3.23Å; V4-V113 WeakPolarHBondContact O-CA 3.22Å; V4-S114 PolarHBondContact O-N 2.75Å; V4-S114 VanDerWaalsContact O-N 3.12Å
5	K	95.4	Very high	94	Very high	142 Å²	142	62.9 Å²	62.9	62%	0.617	42%	0.415	S	S	*	.			trans	-75	151.2	172.2	-68.6	-173	174.2	-173.6	0	111	G7 G8	K5-G7 PolarHBondContact O-N 3.26Å; K5-G8 WeakPolarHBondContact O-CA 3.42Å; K5-G8 PolarHBondContact O-N 2.86Å
6	P	96.6	Very high	94	Very high	72 Å²	72	60 Å²	60	47%	0.468	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.8	140.1	170.7	-26.1	33.9	0	0	0	112.1	G8 L78 V113	P6-G8 PolarHBondContact O-N 3.19Å; P6-L78 CarbonylContact C-O 3.45Å; P6-L78 WeakPolarHBondContact CA-O 3.21Å; P6-V113 HydrophobicContact CB-CG1 4.42Å; P6-V113 HydrophobicContact CG-CG1 4.11Å
7	G	95.8	Very high	94	Very high	56 Å²	56	62.7 Å²	62.7	58%	0.577	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.2	-11.5	-172.9	0	0	0	0	0	114.6	K5 L78	K5-G7 PolarHBondContact O-N 3.26Å; G7-L78 PolarHBondContact N-O 2.92Å
8	G	96.2	Very high	93.8	Very high	22 Å²	22	64.1 Å²	64.1	23%	0.227	45%	0.445	C	S	.	.			trans	-70.6	179.2	178	0	0	0	0	0	114	K5 P6 S77 L78	K5-G8 WeakPolarHBondContact O-CA 3.42Å; K5-G8 PolarHBondContact O-N 2.86Å; P6-G8 PolarHBondContact O-N 3.19Å; G8-S77 PolarHBondContact O-N 3Å; G8-L78 PolarHBondContact O-N 3.03Å; G8-L78 VanDerWaalsContact O-N 3.08Å
9	S	96.8	Very high	93.6	Very high	70 Å²	70	62.9 Å²	62.9	49%	0.49	43%	0.432	S	S	.	.			trans	-132.5	149.3	179	-61.2	0	0	0	0	111.1	M75 S76	S9-M75 CarbonylContact C-O 3.6Å; S9-M75 WeakPolarHBondContact CA-O 3.03Å; S9-M75 WeakPolarHBondContact CB-O 3.36Å; S9-S76 WeakPolarHBondContact OG-CA 3.39Å
10	L	96.4	Very high	93.6	Very high	43 Å²	43	62.6 Å²	62.6	23%	0.225	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	149.9	175.2	-177.7	70.9	0	0	0	109.9	V4 L12 M75 L78 L111	V4-L10 HydrophobicContact CG2-CB 4.11Å; V4-L10 HydrophobicContact CG2-CD2 4.28Å; L10-L12 HydrophobicContact CD2-CD2 3.76Å; L10-L12 HydrophobicContact CG-CD2 4.36Å; L10-M75 HydrophobicContact CB-CE 3.8Å; L10-M75 HydrophobicContact CD2-CE 3.87Å; L10-M75 HydrophobicContact CG-CE 4.08Å; L10-M75 PolarHBondContact N-O 3.13Å; L10-M75 PolarHBondContact O-N 3.42Å; L10-L78 HydrophobicContact CB-CD1 4.18Å; L10-L111 HydrophobicContact CD2-CD1 3.46Å; L10-L111 VanDerWaalsContact CD2-CD1 3.46Å
11	K	97.6	Very high	93.6	Very high	110 Å²	110	59.6 Å²	59.6	48%	0.478	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	121.9	170.5	-168.8	174.2	-179.9	177.3	0	110.1	Y72 L73	K11-Y72 VanDerWaalsContact CE-CD1 3.49Å; K11-L73 CarbonylContact C-O 3.6Å; K11-L73 WeakPolarHBondContact CA-O 3.04Å
12	L	97.8	Very high	94.8	Very high	7 Å²	7	59.2 Å²	59.2	4%	0.037	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	150.6	168.6	-56.7	-178.5	0	0	0	110	L10 W28 Y72 L73 M75 Y86 T109	L10-L12 HydrophobicContact CD2-CD2 3.76Å; L10-L12 HydrophobicContact CG-CD2 4.36Å; L12-W28 HydrophobicContact CB-CH2 3.77Å; L12-W28 HydrophobicContact CB-CZ2 4.1Å; L12-W28 HydrophobicContact CB-CZ3 4.29Å; L12-W28 HydrophobicContact CD1-CH2 4.46Å; L12-W28 HydrophobicContact CD1-CZ3 4.13Å; L12-Y72 VanDerWaalsContact O-CA 3.24Å; L12-Y72 WeakPolarHBondContact O-CA 3.17Å; L12-L73 HydrophobicContact CB-CB 4.32Å; L12-L73 PolarHBondContact N-O 2.95Å; L12-L73 PolarHBondContact O-N 2.91Å; L12-M75 HydrophobicContact CD1-CE 3.92Å; L12-M75 HydrophobicContact CD1-SD 4.06Å; L12-M75 HydrophobicContact CD2-CE 4.11Å; L12-M75 HydrophobicContact CG-CE 3.64Å; L12-M75 HydrophobicContact CG-SD 4.31Å; L12-Y86 HydrophobicContact CD1-CD1 4.06Å; L12-Y86 HydrophobicContact CD1-CD2 4.3Å; L12-Y86 HydrophobicContact CD1-CG 3.73Å; L12-T109 HydrophobicContact CD1-CG2 4.18Å; L12-T109 HydrophobicContact CD2-CG2 3.88Å
13	S	97.7	Very high	94.9	Very high	81 Å²	81	60.9 Å²	60.9	57%	0.566	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.6	148.2	172	57.9	0	0	0	0	110.6	L71	S13-L71 CarbonylContact C-O 3.6Å; S13-L71 VanDerWaalsContact CA-O 3.3Å; S13-L71 WeakPolarHBondContact CA-O 3.41Å
14	C	97.6	Very high	94.9	Very high	19 Å²	19	58 Å²	58	13%	0.128	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	112	172.9	166.4	0	0	0	0	108.9	W28 T70 L71 C88	C14-W28 HydrophobicContact CB-CH2 3.86Å; C14-W28 HydrophobicContact CB-CZ2 3.93Å; C14-T70 CarbonylContact O-C 3.42Å; C14-T70 WeakPolarHBondContact O-CA 3.21Å; C14-L71 HydrophobicContact CB-CB 4.37Å; C14-L71 PolarHBondContact N-O 3Å; C14-L71 PolarHBondContact O-N 2.89Å; C14-C88 HydrophobicContact CB-CB 3.42Å; C14-C88 VanDerWaalsContact CB-CB 3.42Å; C14-C88 WeakPolarHBondContact CB-SG 3.29Å; C14-C88 WeakPolarHBondContact SG-CB 3.01Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 3Å
15	A	97	Very high	94.8	Very high	80 Å²	80	57.1 Å²	57.1	66%	0.661	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.5	124.9	173.6	0	0	0	0	0	109.2
16	A	94.7	Very high	94.8	Very high	17 Å²	17	50.5 Å²	50.5	14%	0.14	35%	0.353	C	S	.	.			trans	-91.1	142.3	177.3	0	0	0	0	0	111	F19 F21 N69	A16-F19 HydrophobicContact CB-CE1 4.02Å; A16-F19 HydrophobicContact CB-CE2 4.35Å; A16-F19 HydrophobicContact CB-CZ 3.67Å; A16-F21 HydrophobicContact CB-CB 4.27Å; A16-F21 HydrophobicContact CB-CD2 3.45Å; A16-F21 VanDerWaalsContact CB-CD2 3.45Å; A16-F21 HydrophobicContact CB-CE2 4.12Å; A16-F21 HydrophobicContact CB-CG 4.17Å; A16-N69 PolarHBondContact N-O 2.72Å
17	S	93.6	Very high	94.8	Very high	106 Å²	106	47.1 Å²	47.1	74%	0.741	33%	0.331	S	S	*	.			trans	-143.7	157.3	174.2	62.5	0	0	0	0	109.8	F19	S17-F19 WeakPolarHBondContact O-CD1 3.06Å
18	G	91.4	Very high	94.9	Very high	87 Å²	87	44.6 Å²	44.6	90%	0.897	30%	0.304	S	S	*	.	S	Bend	trans	84.4	1.4	177.6	0	0	0	0	0	116
19	F	89.8	Confident	94.9	Very high	43 Å²	43	43.8 Å²	43.8	19%	0.189	30%	0.295	C	S	.	.	S	Bend	trans	-154	164.2	173.4	62.4	-85.7	0	0	0	111.9	A16 S17 F21 Y24 M26 R90	A16-F19 HydrophobicContact CB-CE1 4.02Å; A16-F19 HydrophobicContact CB-CE2 4.35Å; A16-F19 HydrophobicContact CB-CZ 3.67Å; S17-F19 WeakPolarHBondContact O-CD1 3.06Å; F19-F21 HydrophobicContact CE2-CB 4.34Å; F19-F21 HydrophobicContact CE2-CD2 4.23Å; F19-F21 HydrophobicContact CZ-CD2 4.46Å; F19-F21 PolarHBondContact O-N 2.65Å; F19-Y24 HydrophobicContact CB-CE2 4.26Å; F19-Y24 AromaticContact CD2-CD2 3.57Å; F19-Y24 HydrophobicContact CD2-CD2 3.57Å; F19-Y24 HydrophobicContact CD2-CE2 4.03Å; F19-Y24 HydrophobicContact CD2-CG 4.32Å; F19-Y24 HydrophobicContact CE2-CD2 4.17Å; F19-M26 HydrophobicContact CE2-SD 4.12Å; F19-M26 HydrophobicContact CZ-CE 4.33Å; F19-M26 HydrophobicContact CZ-SD 4.16Å; F19-R90 HydrophobicContact CE2-CG 4.22Å; F19-R90 HydrophobicContact CZ-CB 4.44Å; F19-R90 HydrophobicContact CZ-CG 4.38Å
20	A	92.3	Very high	94.9	Very high	55 Å²	55	41.2 Å²	41.2	46%	0.455	27%	0.274	S	S	.	.			trans	-74	87	175.5	0	0	0	0	0	110.7	S22 S23 Y24	A20-S22 PolarHBondContact O-N 3.08Å; A20-S22 VanDerWaalsContact O-N 3.1Å; A20-S23 WeakPolarHBondContact O-CB 3.27Å; A20-S23 PolarHBondContact O-N 2.95Å; A20-Y24 VanDerWaalsContact O-CD2 3.29Å; A20-Y24 WeakPolarHBondContact O-CD2 3.32Å
21	F	93.7	Very high	95	Very high	1 Å²	1	42 Å²	42	0%	0.004	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-49.4	-39.9	-174.5	177.5	-101.6	0	0	0	114	A16 F19 S23 Y24 M26 R64 N66 N69 L71	A16-F21 HydrophobicContact CB-CB 4.27Å; A16-F21 HydrophobicContact CB-CD2 3.45Å; A16-F21 VanDerWaalsContact CB-CD2 3.45Å; A16-F21 HydrophobicContact CB-CE2 4.12Å; A16-F21 HydrophobicContact CB-CG 4.17Å; F19-F21 HydrophobicContact CE2-CB 4.34Å; F19-F21 HydrophobicContact CE2-CD2 4.23Å; F19-F21 HydrophobicContact CZ-CD2 4.46Å; F19-F21 PolarHBondContact O-N 2.65Å; F21-S23 PolarHBondContact O-N 2.78Å; F21-Y24 PolarHBondContact O-N 2.8Å; F21-M26 HydrophobicContact CD2-CE 4.41Å; F21-M26 HydrophobicContact CD2-CG 4.18Å; F21-M26 HydrophobicContact CD2-SD 4.03Å; F21-M26 HydrophobicContact CE2-CE 4.01Å; F21-M26 HydrophobicContact CE2-CG 3.59Å; F21-M26 HydrophobicContact CE2-SD 3.9Å; F21-M26 HydrophobicContact CZ-CG 4.14Å; F21-R64 VanDerWaalsContact CD1-NH2 3.32Å; F21-R64 HydrophobicContact CE1-CB 4.08Å; F21-R64 VanDerWaalsContact CE1-NH2 3.29Å; F21-R64 HydrophobicContact CZ-CB 4.08Å; F21-R64 PolarHBondContact O-NH2 2.98Å; F21-N66 WeakPolarHBondContact CD1-OD1 3.34Å; F21-N66 WeakPolarHBondContact CE1-OD1 3.38Å; F21-N69 HydrophobicContact CB-CB 3.92Å; F21-N69 WeakPolarHBondContact CB-OD1 3.44Å; F21-N69 HydrophobicContact CD1-CB 4.43Å; F21-N69 HydrophobicContact CG-CB 4.2Å; F21-L71 HydrophobicContact CE2-CB 4.25Å; F21-L71 HydrophobicContact CZ-CB 4.14Å; F21-L71 HydrophobicContact CZ-CD1 4.47Å
22	S	93.4	Very high	94.9	Very high	61 Å²	61	37.5 Å²	37.5	43%	0.427	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-64.9	-15.1	178.7	54.2	0	0	0	0	115	A20 S45	A20-S22 PolarHBondContact O-N 3.08Å; A20-S22 VanDerWaalsContact O-N 3.1Å; S22-S45 WeakPolarHBondContact O-CB 3.17Å
23	S	91.8	Very high	94.6	Very high	60 Å²	60	41.5 Å²	41.5	42%	0.42	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-93.2	-8.6	-179.9	-58.3	0	0	0	0	113.7	A20 F21	A20-S23 WeakPolarHBondContact O-CB 3.27Å; A20-S23 PolarHBondContact O-N 2.95Å; F21-S23 PolarHBondContact O-N 2.78Å
24	Y	91.9	Very high	94.5	Very high	63 Å²	63	44.6 Å²	44.6	25%	0.247	29%	0.29	C	S	.	.	S	Bend	trans	-119.7	145.6	-174.4	-65.7	-86	0	0	0	112.2	F19 A20 F21 S45 R64 R90 G93	F19-Y24 HydrophobicContact CB-CE2 4.26Å; F19-Y24 AromaticContact CD2-CD2 3.57Å; F19-Y24 HydrophobicContact CD2-CD2 3.57Å; F19-Y24 HydrophobicContact CD2-CE2 4.03Å; F19-Y24 HydrophobicContact CD2-CG 4.32Å; F19-Y24 HydrophobicContact CE2-CD2 4.17Å; A20-Y24 VanDerWaalsContact O-CD2 3.29Å; A20-Y24 WeakPolarHBondContact O-CD2 3.32Å; F21-Y24 PolarHBondContact O-N 2.8Å; Y24-S45 WeakPolarHBondContact O-CA 3.42Å; Y24-R64 PolarHBondContact O-NH1 2.79Å; Y24-R90 HydrophobicContact CD1-CG 4.02Å; Y24-R90 HydrophobicContact CG-CG 3.97Å; Y24-G93 WeakPolarHBondContact CD1-O 3.18Å; Y24-G93 WeakPolarHBondContact CE1-O 3.42Å
25	D	93.3	Very high	94.1	Very high	4 Å²	4	51.7 Å²	51.7	2%	0.021	32%	0.319	C	S	.	.			trans	-74.9	151	166.1	-51.8	-30	0	0	0	109.4	Y42 I43 S44 S45 D91 V98	D25-Y42 HydrophobicContact CB-CD2 4.39Å; D25-Y42 HydrophobicContact CB-CE2 3.44Å; D25-Y42 VanDerWaalsContact CB-CE2 3.44Å; D25-Y42 PolarHBondContact OD2-OH 2.91Å; D25-I43 WeakPolarHBondContact CA-O 3.18Å; D25-S44 WeakPolarHBondContact OD1-CA 3.42Å; D25-S45 PolarHBondContact OD1-N 3.09Å; D25-S45 PolarHBondContact OD1-OG 2.95Å; D25-D91 HydrophobicContact CB-CB 4.12Å; D25-D91 PolarHBondContact O-N 3.16Å; D25-V98 WeakPolarHBondContact OD2-CG2 3.38Å
26	M	95.3	Very high	93.9	Very high	4 Å²	4	55.3 Å²	55.3	2%	0.02	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	142.5	-171.3	-61.4	-64.6	-54.9	0	0	110.5	F19 F21 Y42 I43 L71 A89 R90	F19-M26 HydrophobicContact CE2-SD 4.12Å; F19-M26 HydrophobicContact CZ-CE 4.33Å; F19-M26 HydrophobicContact CZ-SD 4.16Å; F21-M26 HydrophobicContact CD2-CE 4.41Å; F21-M26 HydrophobicContact CD2-CG 4.18Å; F21-M26 HydrophobicContact CD2-SD 4.03Å; F21-M26 HydrophobicContact CE2-CE 4.01Å; F21-M26 HydrophobicContact CE2-CG 3.59Å; F21-M26 HydrophobicContact CE2-SD 3.9Å; F21-M26 HydrophobicContact CZ-CG 4.14Å; M26-Y42 WeakPolarHBondContact O-CA 3.35Å; M26-I43 HydrophobicContact CB-CG2 4.12Å; M26-I43 PolarHBondContact N-O 3.12Å; M26-I43 PolarHBondContact O-N 3.19Å; M26-L71 HydrophobicContact CB-CD1 3.78Å; M26-L71 HydrophobicContact CB-CD2 3.91Å; M26-L71 HydrophobicContact CB-CG 4.42Å; M26-L71 HydrophobicContact CE-CD2 4.46Å; M26-L71 HydrophobicContact CG-CD1 4.49Å; M26-A89 WeakPolarHBondContact CE-O 3.3Å; M26-R90 HydrophobicContact CE-CB 4.45Å; M26-R90 HydrophobicContact SD-CB 4.15Å; M26-R90 HydrophobicContact SD-CG 4.12Å
27	S	96.2	Very high	93.9	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	153.6	-178.6	-72.9	0	0	0	0	112.1	W39 A41 C88 A89 D91	S27-W39 PolarHBondContact OG-NE1 2.95Å; S27-W39 VanDerWaalsContact OG-NE1 3.16Å; S27-A41 CarbonylContact C-O 3.48Å; S27-A41 VanDerWaalsContact CA-O 3.24Å; S27-A41 WeakPolarHBondContact CA-O 3.12Å; S27-C88 CarbonylContact O-C 3.52Å; S27-C88 WeakPolarHBondContact O-CA 3.4Å; S27-A89 PolarHBondContact N-O 3.25Å; S27-A89 PolarHBondContact O-N 2.82Å; S27-D91 WeakPolarHBondContact CB-OD2 3.37Å; S27-D91 PolarHBondContact N-OD2 3.46Å; S27-D91 PolarHBondContact OG-OD1 3.45Å; S27-D91 PolarHBondContact OG-OD2 2.78Å
28	W	97.8	Very high	94	Very high	4 Å²	4	55.5 Å²	55.5	2%	0.015	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	135	158.9	-76.8	94.8	0	0	0	109.1	L12 C14 V40 A41 L71 L73 Y87 C88	L12-W28 HydrophobicContact CB-CH2 3.77Å; L12-W28 HydrophobicContact CB-CZ2 4.1Å; L12-W28 HydrophobicContact CB-CZ3 4.29Å; L12-W28 HydrophobicContact CD1-CH2 4.46Å; L12-W28 HydrophobicContact CD1-CZ3 4.13Å; C14-W28 HydrophobicContact CB-CH2 3.86Å; C14-W28 HydrophobicContact CB-CZ2 3.93Å; W28-V40 HydrophobicContact CB-CB 4.07Å; W28-V40 HydrophobicContact CB-CG1 4.47Å; W28-V40 WeakPolarHBondContact O-CB 3.1Å; W28-V40 PolarHBondContact O-N 2.71Å; W28-A41 PolarHBondContact N-O 2.96Å; W28-A41 PolarHBondContact O-N 2.92Å; W28-L71 HydrophobicContact CD2-CD2 4.47Å; W28-L71 HydrophobicContact CG-CD2 4.38Å; W28-L71 HydrophobicContact CZ2-CD2 4.43Å; W28-L71 VanDerWaalsContact NE1-CD2 3.29Å; W28-L73 HydrophobicContact CB-CD2 4.21Å; W28-L73 HydrophobicContact CD2-CB 4.07Å; W28-L73 HydrophobicContact CD2-CD2 4.24Å; W28-L73 HydrophobicContact CG-CB 4.12Å; W28-L73 HydrophobicContact CG-CD1 4.41Å; W28-L73 HydrophobicContact CG-CD2 4.01Å; W28-L73 HydrophobicContact CG-CG 4.42Å; W28-L73 HydrophobicContact CZ2-CB 4.3Å; W28-Y87 WeakPolarHBondContact CA-O 3.47Å; W28-Y87 VanDerWaalsContact CE3-C 3.5Å; W28-C88 HydrophobicContact CE3-CB 4.41Å; W28-C88 HydrophobicContact CH2-CB 4.31Å; W28-C88 HydrophobicContact CZ2-CB 4.41Å; W28-C88 HydrophobicContact CZ3-CB 4.31Å
29	V	97.3	Very high	94.1	Very high	4 Å²	4	55.7 Å²	55.7	2%	0.024	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	143.8	174.5	-177.1	0	0	0	0	107.3	L37 E38 Y86 Y87 F102 W105	V29-L37 HydrophobicContact CG1-CB 4.38Å; V29-L37 HydrophobicContact CG1-CD2 4.04Å; V29-E38 CarbonylContact C-O 3.55Å; V29-E38 WeakPolarHBondContact CA-O 3.42Å; V29-E38 WeakPolarHBondContact CG1-O 3.29Å; V29-Y86 CarbonylContact O-C 3.52Å; V29-Y87 PolarHBondContact N-O 2.8Å; V29-Y87 PolarHBondContact O-N 3.26Å; V29-F102 HydrophobicContact CG2-CE2 4.04Å; V29-F102 HydrophobicContact CG2-CZ 4.08Å; V29-W105 HydrophobicContact CB-CH2 3.93Å; V29-W105 HydrophobicContact CB-CZ3 3.66Å; V29-W105 HydrophobicContact CG1-CH2 3.79Å; V29-W105 HydrophobicContact CG1-CZ3 3.8Å; V29-W105 HydrophobicContact CG2-CH2 3.84Å; V29-W105 HydrophobicContact CG2-CZ3 3.96Å
30	R	97.3	Very high	94.5	Very high	16 Å²	16	53.7 Å²	53.7	6%	0.06	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	147.6	172.1	72.5	-177.2	-177.2	-178.3	6.5	111.4	L37 E38 V40 D82 A84 M85 Y86	R30-L37 CarbonylContact O-C 3.55Å; R30-L37 WeakPolarHBondContact O-CA 3.43Å; R30-E38 HydrophobicContact CG-CB 3.98Å; R30-E38 IonicContact CZ-OE2 2.8Å; R30-E38 VanDerWaalsContact CZ-OE2 3.23Å; R30-E38 PolarHBondContact N-O 2.92Å; R30-E38 IonicContact NE-OE2 3.73Å; R30-E38 PolarHBondContact NE-OE2 2.85Å; R30-E38 IonicContact NH2-OE2 2.91Å; R30-E38 PolarHBondContact NH2-OE2 3.08Å; R30-E38 PolarHBondContact O-N 2.83Å; R30-V40 HydrophobicContact CB-CG2 3.78Å; R30-V40 HydrophobicContact CG-CG2 3.58Å; R30-D82 IonicContact NH1-OD1 2.65Å; R30-D82 PolarHBondContact NH1-OD1 2.91Å; R30-A84 HydrophobicContact CB-CB 3.84Å; R30-A84 HydrophobicContact CG-CB 4.15Å; R30-M85 CarbonylContact C-O 3.57Å; R30-M85 WeakPolarHBondContact CA-O 3.38Å; R30-Y86 HydrophobicContact CB-CD1 3.8Å; R30-Y86 HydrophobicContact CB-CD2 4.38Å; R30-Y86 HydrophobicContact CB-CE1 3.76Å; R30-Y86 HydrophobicContact CB-CE2 4.33Å; R30-Y86 HydrophobicContact CB-CG 4.12Å; R30-Y86 WeakPolarHBondContact CD-OH 3.33Å; R30-Y86 HydrophobicContact CG-CE1 4.37Å; R30-Y86 PolarHBondContact NH1-OH 2.96Å
31	Q	97.6	Very high	94.7	Very high	60 Å²	60	51.1 Å²	51.1	28%	0.28	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	115.4	169.7	-171.6	175.6	34.8	0	0	108.7	R36 L37 A84 M85 Y87	Q31-R36 VanDerWaalsContact CA-O 3.32Å; Q31-R36 WeakPolarHBondContact CA-O 3.4Å; Q31-L37 HydrophobicContact CB-CD2 3.81Å; Q31-L37 HydrophobicContact CG-CD2 4.15Å; Q31-A84 WeakPolarHBondContact O-CA 3.41Å; Q31-A84 VanDerWaalsContact O-CB 3.27Å; Q31-A84 WeakPolarHBondContact O-CB 3.42Å; Q31-M85 HydrophobicContact CB-CB 4.42Å; Q31-M85 PolarHBondContact N-O 2.92Å; Q31-M85 PolarHBondContact O-N 3.18Å; Q31-Y87 HydrophobicContact CB-CE2 3.76Å; Q31-Y87 PolarHBondContact OE1-OH 3.03Å; Q31-Y87 VanDerWaalsContact OE1-OH 3.08Å
32	T	95.5	Very high	94.8	Very high	15 Å²	15	52.6 Å²	52.6	9%	0.092	25%	0.254	C	S	.	.			trans	-70.1	163.9	177.9	76.9	0	0	0	0	110.6	E34 K35 R36 E38	T32-E34 WeakPolarHBondContact CB-OE2 3.33Å; T32-E34 PolarHBondContact O-N 3.29Å; T32-E34 VanDerWaalsContact O-N 3.13Å; T32-E34 PolarHBondContact OG1-N 3.11Å; T32-E34 PolarHBondContact OG1-OE2 3.04Å; T32-K35 WeakPolarHBondContact O-CA 3.4Å; T32-K35 PolarHBondContact O-N 2.84Å; T32-R36 PolarHBondContact N-O 3.11Å; T32-E38 HydrophobicContact CG2-CG 4.17Å
33	P	92.6	Very high	94.9	Very high	91 Å²	91	50 Å²	50	59%	0.591	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-29.2	174.5	-27.3	37	0	0	0	113.7	K35 T83	P33-K35 PolarHBondContact O-N 3.43Å; P33-T83 WeakPolarHBondContact CD-O 3.26Å
34	E	94.1	Very high	95	Very high	146 Å²	146	48 Å²	48	68%	0.682	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.8	8.5	175.1	-53.8	70.2	-148.1	0	0	113.1	T32 R36	T32-E34 WeakPolarHBondContact CB-OE2 3.33Å; T32-E34 PolarHBondContact O-N 3.29Å; T32-E34 VanDerWaalsContact O-N 3.13Å; T32-E34 PolarHBondContact OG1-N 3.11Å; T32-E34 PolarHBondContact OG1-OE2 3.04Å; E34-R36 PolarHBondContact O-N 3.3Å
35	K	90.3	Very high	95	Very high	169 Å²	169	46.1 Å²	46.1	74%	0.735	22%	0.217	S	C	*	.			trans	66.1	13.8	179.4	-52.6	-179.6	177.9	179.1	0	114.9	T32 P33	T32-K35 WeakPolarHBondContact O-CA 3.4Å; T32-K35 PolarHBondContact O-N 2.84Å; P33-K35 PolarHBondContact O-N 3.43Å
36	R	93.2	Very high	94.7	Very high	156 Å²	156	48.9 Å²	48.9	59%	0.589	25%	0.247	S	C	*	.			trans	-77.4	129	173.8	177.4	175.5	142	-178.4	-10.4	110	Q31 T32 E34 E38	Q31-R36 VanDerWaalsContact CA-O 3.32Å; Q31-R36 WeakPolarHBondContact CA-O 3.4Å; T32-R36 PolarHBondContact N-O 3.11Å; E34-R36 PolarHBondContact O-N 3.3Å; R36-E38 HydrophobicContact CG-CG 4.1Å; R36-E38 IonicContact CZ-OE1 2.99Å; R36-E38 IonicContact NE-OE1 3Å; R36-E38 PolarHBondContact NE-OE1 3.33Å; R36-E38 IonicContact NH1-OE1 3.97Å; R36-E38 IonicContact NH2-OE1 2.78Å; R36-E38 PolarHBondContact NH2-OE1 2.75Å
37	L	94.1	Very high	94.5	Very high	98 Å²	98	50.1 Å²	50.1	51%	0.513	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	130.5	169.5	-71.2	170.6	0	0	0	109.8	V29 R30 Q31	V29-L37 HydrophobicContact CG1-CB 4.38Å; V29-L37 HydrophobicContact CG1-CD2 4.04Å; R30-L37 CarbonylContact O-C 3.55Å; R30-L37 WeakPolarHBondContact O-CA 3.43Å; Q31-L37 HydrophobicContact CB-CD2 3.81Å; Q31-L37 HydrophobicContact CG-CD2 4.15Å
38	E	95.2	Very high	94.3	Very high	29 Å²	29	53.6 Å²	53.6	14%	0.136	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	126.4	178.4	-57.2	-171.2	146	0	0	109	V29 R30 T32 R36	V29-E38 CarbonylContact C-O 3.55Å; V29-E38 WeakPolarHBondContact CA-O 3.42Å; V29-E38 WeakPolarHBondContact CG1-O 3.29Å; R30-E38 HydrophobicContact CG-CB 3.98Å; R30-E38 IonicContact CZ-OE2 2.8Å; R30-E38 VanDerWaalsContact CZ-OE2 3.23Å; R30-E38 PolarHBondContact N-O 2.92Å; R30-E38 IonicContact NE-OE2 3.73Å; R30-E38 PolarHBondContact NE-OE2 2.85Å; R30-E38 IonicContact NH2-OE2 2.91Å; R30-E38 PolarHBondContact NH2-OE2 3.08Å; R30-E38 PolarHBondContact O-N 2.83Å; T32-E38 HydrophobicContact CG2-CG 4.17Å; R36-E38 HydrophobicContact CG-CG 4.1Å; R36-E38 IonicContact CZ-OE1 2.99Å; R36-E38 IonicContact NE-OE1 3Å; R36-E38 PolarHBondContact NE-OE1 3.33Å; R36-E38 IonicContact NH1-OE1 3.97Å; R36-E38 IonicContact NH2-OE1 2.78Å; R36-E38 PolarHBondContact NH2-OE1 2.75Å
39	W	94.3	Very high	94	Very high	91 Å²	91	56.9 Å²	56.9	35%	0.345	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	139.3	169.3	-174.6	56.5	0	0	0	109.9	S27 A41 Y42 Y51 P53	S27-W39 PolarHBondContact OG-NE1 2.95Å; S27-W39 VanDerWaalsContact OG-NE1 3.16Å; W39-A41 PolarHBondContact NE1-O 3.2Å; W39-Y42 HydrophobicContact CZ2-CD2 4.42Å; W39-Y42 AromaticContact CZ2-CG 3.97Å; W39-Y42 HydrophobicContact CZ2-CG 3.97Å; W39-Y51 AromaticContact CE3-CD1 3.84Å; W39-Y51 HydrophobicContact CE3-CD1 3.84Å; W39-Y51 AromaticContact CE3-CE1 3.67Å; W39-Y51 HydrophobicContact CE3-CE1 3.67Å; W39-Y51 AromaticContact CH2-CD1 3.01Å; W39-Y51 HydrophobicContact CH2-CD1 3.01Å; W39-Y51 AromaticContact CH2-CE1 3.53Å; W39-Y51 HydrophobicContact CH2-CE1 3.53Å; W39-Y51 AromaticContact CH2-CG 3.63Å; W39-Y51 HydrophobicContact CH2-CG 3.63Å; W39-Y51 AromaticContact CZ2-CD1 3.94Å; W39-Y51 HydrophobicContact CZ2-CD1 3.94Å; W39-Y51 AromaticContact CZ3-CD1 2.98Å; W39-Y51 HydrophobicContact CZ3-CD1 2.98Å; W39-Y51 AromaticContact CZ3-CE1 2.92Å; W39-Y51 HydrophobicContact CZ3-CE1 2.92Å; W39-Y51 AromaticContact CZ3-CG 3.97Å; W39-Y51 HydrophobicContact CZ3-CG 3.97Å; W39-Y51 AromaticContact CZ3-CZ 3.83Å; W39-P53 WeakPolarHBondContact O-CG 3.37Å
40	V	97.1	Very high	94	Very high	1 Å²	1	60 Å²	60	1%	0.006	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	-45.7	-171.8	178.1	0	0	0	0	111.3	W28 R30 P53 V56 F60 L73 Y86	W28-V40 HydrophobicContact CB-CB 4.07Å; W28-V40 HydrophobicContact CB-CG1 4.47Å; W28-V40 WeakPolarHBondContact O-CB 3.1Å; W28-V40 PolarHBondContact O-N 2.71Å; R30-V40 HydrophobicContact CB-CG2 3.78Å; R30-V40 HydrophobicContact CG-CG2 3.58Å; V40-P53 WeakPolarHBondContact O-CD 3.35Å; V40-V56 HydrophobicContact CG1-CG2 4.4Å; V40-V56 VanDerWaalsContact O-CG2 3.27Å; V40-V56 WeakPolarHBondContact O-CG2 3.5Å; V40-F60 HydrophobicContact CG1-CD2 3.63Å; V40-F60 HydrophobicContact CG1-CE2 4.08Å; V40-L73 HydrophobicContact CG1-CD1 4.48Å; V40-L73 HydrophobicContact CG1-CD2 3.89Å; V40-Y86 HydrophobicContact CG1-CE1 4.41Å; V40-Y86 HydrophobicContact CG2-CD1 4.45Å; V40-Y86 HydrophobicContact CG2-CE1 4.15Å
41	A	97.2	Very high	93.9	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.6	157.2	179.9	0	0	0	0	0	110.6	S27 W28 W39 Y51 Y52 I62 L73	S27-A41 CarbonylContact C-O 3.48Å; S27-A41 VanDerWaalsContact CA-O 3.24Å; S27-A41 WeakPolarHBondContact CA-O 3.12Å; W28-A41 PolarHBondContact N-O 2.96Å; W28-A41 PolarHBondContact O-N 2.92Å; W39-A41 PolarHBondContact NE1-O 3.2Å; A41-Y51 WeakPolarHBondContact CA-O 3.3Å; A41-Y52 HydrophobicContact CB-CD1 3.69Å; A41-Y52 HydrophobicContact CB-CE1 3.73Å; A41-I62 HydrophobicContact CB-CB 3.78Å; A41-I62 HydrophobicContact CB-CD1 3.97Å; A41-I62 HydrophobicContact CB-CG1 4.41Å; A41-I62 HydrophobicContact CB-CG2 3.98Å; A41-L73 HydrophobicContact CB-CD1 4.13Å
42	Y	95.4	Very high	93.8	Very high	33 Å²	33	63.9 Å²	63.9	13%	0.129	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	147.7	175	158.7	-82.4	0	0	0	111.4	D25 M26 W39 T50 Y51 I62	D25-Y42 HydrophobicContact CB-CD2 4.39Å; D25-Y42 HydrophobicContact CB-CE2 3.44Å; D25-Y42 VanDerWaalsContact CB-CE2 3.44Å; D25-Y42 PolarHBondContact OD2-OH 2.91Å; M26-Y42 WeakPolarHBondContact O-CA 3.35Å; W39-Y42 HydrophobicContact CZ2-CD2 4.42Å; W39-Y42 AromaticContact CZ2-CG 3.97Å; W39-Y42 HydrophobicContact CZ2-CG 3.97Å; Y42-T50 WeakPolarHBondContact O-CA 3.3Å; Y42-Y51 PolarHBondContact N-O 2.68Å; Y42-Y51 PolarHBondContact O-N 2.84Å; Y42-I62 WeakPolarHBondContact O-CG2 3.46Å
43	I	95.4	Very high	93.8	Very high	6 Å²	6	64.2 Å²	64.2	3%	0.031	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	133.4	174.1	-170	161.1	0	0	0	110.6	D25 M26 S49 T50 I62 R64 L71	D25-I43 WeakPolarHBondContact CA-O 3.18Å; M26-I43 HydrophobicContact CB-CG2 4.12Å; M26-I43 PolarHBondContact N-O 3.12Å; M26-I43 PolarHBondContact O-N 3.19Å; I43-S49 WeakPolarHBondContact CA-O 3.27Å; I43-T50 HydrophobicContact CB-CG2 4.15Å; I43-T50 HydrophobicContact CD1-CG2 3.94Å; I43-T50 HydrophobicContact CG1-CG2 3.84Å; I43-I62 HydrophobicContact CB-CD1 3.93Å; I43-I62 HydrophobicContact CB-CG1 4.15Å; I43-I62 HydrophobicContact CB-CG2 3.96Å; I43-I62 HydrophobicContact CG2-CD1 3.61Å; I43-I62 HydrophobicContact CG2-CG1 3.94Å; I43-R64 HydrophobicContact CD1-CB 4.26Å; I43-R64 HydrophobicContact CD1-CG 3.74Å; I43-R64 HydrophobicContact CG1-CG 4.37Å; I43-L71 HydrophobicContact CG2-CD1 3.53Å
44	S	93.4	Very high	94	Very high	18 Å²	18	66.4 Å²	66.4	13%	0.126	36%	0.361	C	S	.	.			trans	-68.3	160.7	176.2	62.4	0	0	0	0	112.6	D25 G46 G47 G48 S49 R64	D25-S44 WeakPolarHBondContact OD1-CA 3.42Å; S44-G46 VanDerWaalsContact C-N 3.28Å; S44-G46 PolarHBondContact O-N 3.41Å; S44-G47 WeakPolarHBondContact O-CA 3.31Å; S44-G47 PolarHBondContact O-N 2.84Å; S44-G48 PolarHBondContact OG-N 3.42Å; S44-S49 PolarHBondContact N-O 3.33Å; S44-S49 PolarHBondContact OG-N 3.16Å; S44-S49 VanDerWaalsContact OG-N 3.16Å; S44-R64 WeakPolarHBondContact O-CD 3.21Å; S44-R64 PolarHBondContact O-NH1 3.34Å
45	S	91.6	Very high	93.9	Very high	23 Å²	23	63.4 Å²	63.4	16%	0.161	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-43.6	-46.2	175.8	49.5	0	0	0	0	113.7	S22 Y24 D25 R64 N66	S22-S45 WeakPolarHBondContact O-CB 3.17Å; Y24-S45 WeakPolarHBondContact O-CA 3.42Å; D25-S45 PolarHBondContact OD1-N 3.09Å; D25-S45 PolarHBondContact OD1-OG 2.95Å; S45-R64 PolarHBondContact O-NE 3.37Å; S45-R64 PolarHBondContact O-NH1 2.65Å; S45-R64 PolarHBondContact O-NH2 3.46Å; S45-N66 PolarHBondContact O-ND2 3.29Å
46	G	87.6	Confident	94.2	Very high	63 Å²	63	55.4 Å²	55.4	65%	0.649	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-10.9	175.8	0	0	0	0	0	115.1	S44 G48	S44-G46 VanDerWaalsContact C-N 3.28Å; S44-G46 PolarHBondContact O-N 3.41Å; G46-G48 PolarHBondContact O-N 2.77Å
47	G	91.8	Very high	94.3	Very high	29 Å²	29	54.3 Å²	54.3	30%	0.299	32%	0.318	S	S	.	.	S	Bend	trans	77.6	3.3	-175.7	0	0	0	0	0	115.1	S44 S49	S44-G47 WeakPolarHBondContact O-CA 3.31Å; S44-G47 PolarHBondContact O-N 2.84Å; G47-S49 VanDerWaalsContact C-N 3.32Å; G47-S49 PolarHBondContact O-N 3.32Å
48	G	91.2	Very high	94.4	Very high	74 Å²	74	53.4 Å²	53.4	76%	0.763	33%	0.332	S	S	*	.			trans	-76	-15.6	-177.1	0	0	0	0	0	114.6	S44 G46	S44-G48 PolarHBondContact OG-N 3.42Å; G46-G48 PolarHBondContact O-N 2.77Å
49	S	92.8	Very high	94.6	Very high	73 Å²	73	53.5 Å²	53.5	51%	0.51	33%	0.331	S	S	.	.			trans	-132.2	134.5	179.9	-54.1	0	0	0	0	110.2	I43 S44 G47	I43-S49 WeakPolarHBondContact CA-O 3.27Å; S44-S49 PolarHBondContact N-O 3.33Å; S44-S49 PolarHBondContact OG-N 3.16Å; S44-S49 VanDerWaalsContact OG-N 3.16Å; G47-S49 VanDerWaalsContact C-N 3.32Å; G47-S49 PolarHBondContact O-N 3.32Å
50	T	96.1	Very high	94.8	Very high	70 Å²	70	49.4 Å²	49.4	43%	0.429	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	149.4	174.9	58	0	0	0	0	110.4	Y42 I43 I62	Y42-T50 WeakPolarHBondContact O-CA 3.3Å; I43-T50 HydrophobicContact CB-CG2 4.15Å; I43-T50 HydrophobicContact CD1-CG2 3.94Å; I43-T50 HydrophobicContact CG1-CG2 3.84Å; T50-I62 HydrophobicContact CG2-CG2 3.76Å
51	Y	95.4	Very high	94.8	Very high	118 Å²	118	53 Å²	53	46%	0.463	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	144.9	173.4	178.4	-79.5	0	0	0	110.2	W39 A41 Y42 P53	W39-Y51 AromaticContact CE3-CD1 3.84Å; W39-Y51 HydrophobicContact CE3-CD1 3.84Å; W39-Y51 AromaticContact CE3-CE1 3.67Å; W39-Y51 HydrophobicContact CE3-CE1 3.67Å; W39-Y51 AromaticContact CH2-CD1 3.01Å; W39-Y51 HydrophobicContact CH2-CD1 3.01Å; W39-Y51 AromaticContact CH2-CE1 3.53Å; W39-Y51 HydrophobicContact CH2-CE1 3.53Å; W39-Y51 AromaticContact CH2-CG 3.63Å; W39-Y51 HydrophobicContact CH2-CG 3.63Å; W39-Y51 AromaticContact CZ2-CD1 3.94Å; W39-Y51 HydrophobicContact CZ2-CD1 3.94Å; W39-Y51 AromaticContact CZ3-CD1 2.98Å; W39-Y51 HydrophobicContact CZ3-CD1 2.98Å; W39-Y51 AromaticContact CZ3-CE1 2.92Å; W39-Y51 HydrophobicContact CZ3-CE1 2.92Å; W39-Y51 AromaticContact CZ3-CG 3.97Å; W39-Y51 HydrophobicContact CZ3-CG 3.97Å; W39-Y51 AromaticContact CZ3-CZ 3.83Å; A41-Y51 WeakPolarHBondContact CA-O 3.3Å; Y42-Y51 PolarHBondContact N-O 2.68Å; Y42-Y51 PolarHBondContact O-N 2.84Å; Y51-P53 HydrophobicContact CE1-CB 4.46Å
52	Y	96.5	Very high	94.9	Very high	39 Å²	39	53.2 Å²	53.2	15%	0.153	34%	0.339	C	S	.	.			trans	-138.7	135.8	174.3	-51.9	-88.2	0	0	0	109.8	A41 F60 T61 I62	A41-Y52 HydrophobicContact CB-CD1 3.69Å; A41-Y52 HydrophobicContact CB-CE1 3.73Å; Y52-F60 VanDerWaalsContact CE1-O 3.26Å; Y52-F60 WeakPolarHBondContact CE1-O 3.43Å; Y52-T61 WeakPolarHBondContact OH-CA 3.23Å; Y52-I62 HydrophobicContact CE1-CB 4.23Å; Y52-I62 HydrophobicContact CE1-CG2 3.86Å; Y52-I62 WeakPolarHBondContact OH-CG2 3.24Å; Y52-I62 PolarHBondContact OH-N 3.29Å
53	P	95.4	Very high	95	Very high	22 Å²	22	53.8 Å²	53.8	14%	0.143	35%	0.348	C	S	.	.			trans	-70.7	155.5	168.2	29.5	-29.3	0	0	0	110.7	W39 V40 Y51 T55 V56 K57	W39-P53 WeakPolarHBondContact O-CG 3.37Å; V40-P53 WeakPolarHBondContact O-CD 3.35Å; Y51-P53 HydrophobicContact CE1-CB 4.46Å; P53-T55 PolarHBondContact O-N 3.38Å; P53-V56 HydrophobicContact CG-CG2 3.96Å; P53-V56 PolarHBondContact O-N 2.84Å; P53-V56 VanDerWaalsContact O-N 3.11Å; P53-K57 WeakPolarHBondContact O-CB 3.4Å; P53-K57 PolarHBondContact O-N 2.97Å
54	D	95.3	Very high	95.1	Very high	136 Å²	136	55.1 Å²	55.1	73%	0.727	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-24.1	-174.5	-66.7	-32	0	0	0	113.8	V56	D54-V56 PolarHBondContact O-N 3Å
55	T	93.4	Very high	95.3	Very high	84 Å²	84	56.2 Å²	56.2	52%	0.515	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-27.7	178.4	53.7	0	0	0	0	113.8	P53 R59	P53-T55 PolarHBondContact O-N 3.38Å; T55-R59 PolarHBondContact O-NH2 3.48Å; T55-R59 VanDerWaalsContact O-NH2 3.11Å
56	V	96.5	Very high	95.5	Very high	1 Å²	1	58 Å²	58	1%	0.006	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.3	-7.2	-176.9	-57.2	0	0	0	0	113.3	V40 P53 D54 G58 R59 F60	V40-V56 HydrophobicContact CG1-CG2 4.4Å; V40-V56 VanDerWaalsContact O-CG2 3.27Å; V40-V56 WeakPolarHBondContact O-CG2 3.5Å; P53-V56 HydrophobicContact CG-CG2 3.96Å; P53-V56 PolarHBondContact O-N 2.84Å; P53-V56 VanDerWaalsContact O-N 3.11Å; D54-V56 PolarHBondContact O-N 3Å; V56-G58 PolarHBondContact O-N 3.01Å; V56-R59 PolarHBondContact O-N 2.99Å; V56-F60 HydrophobicContact CB-CB 4.11Å; V56-F60 HydrophobicContact CB-CD1 4.47Å; V56-F60 HydrophobicContact CB-CD2 3.65Å; V56-F60 HydrophobicContact CB-CE2 4.12Å; V56-F60 HydrophobicContact CB-CG 3.84Å; V56-F60 HydrophobicContact CG1-CD2 3.7Å; V56-F60 HydrophobicContact CG1-CE2 3.67Å; V56-F60 HydrophobicContact CG1-CG 4.32Å; V56-F60 HydrophobicContact CG1-CZ 4.26Å; V56-F60 HydrophobicContact CG2-CB 4.37Å; V56-F60 HydrophobicContact CG2-CD2 4.22Å; V56-F60 PolarHBondContact O-N 2.78Å
57	K	95.3	Very high	95.9	Very high	133 Å²	133	59.6 Å²	59.6	58%	0.578	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	132.5	178.7	-165.7	172.7	-173.5	176.1	0	111.1	P53 R59	P53-K57 WeakPolarHBondContact O-CB 3.4Å; P53-K57 PolarHBondContact O-N 2.97Å; K57-R59 PolarHBondContact O-N 3.4Å
58	G	96.4	Very high	96.2	Very high	78 Å²	78	64.6 Å²	64.6	80%	0.804	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	80	-7	-176.9	0	0	0	0	0	115.2	V56	V56-G58 PolarHBondContact O-N 3.01Å
59	R	97.9	Very high	96.4	Very high	32 Å²	32	64.1 Å²	64.1	12%	0.121	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.3	-39.3	176.1	-58.9	-169.2	-57.2	116.4	0.2	112.1	T55 V56 K57 S76 S77 D82	T55-R59 PolarHBondContact O-NH2 3.48Å; T55-R59 VanDerWaalsContact O-NH2 3.11Å; V56-R59 PolarHBondContact O-N 2.99Å; K57-R59 PolarHBondContact O-N 3.4Å; R59-S76 PolarHBondContact O-N 2.82Å; R59-S76 PolarHBondContact O-OG 3.19Å; R59-S77 PolarHBondContact NH1-O 3Å; R59-D82 IonicContact CZ-OD1 2.96Å; R59-D82 IonicContact CZ-OD2 3.38Å; R59-D82 IonicContact NH1-OD1 3.82Å; R59-D82 IonicContact NH1-OD2 3.48Å; R59-D82 PolarHBondContact NH1-OD2 2.81Å; R59-D82 IonicContact NH2-OD1 2.68Å; R59-D82 PolarHBondContact NH2-OD1 2.02Å; R59-D82 IonicContact NH2-OD2 2.65Å; R59-D82 PolarHBondContact NH2-OD2 3.26Å
60	F	98.2	Very high	96.7	Very high	4 Å²	4	61.4 Å²	61.4	2%	0.018	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	143.5	-176.2	-65.4	7.8	0	0	0	110.4	V40 Y52 V56 L73 Q74 M75 L78 D82 Y86	V40-F60 HydrophobicContact CG1-CD2 3.63Å; V40-F60 HydrophobicContact CG1-CE2 4.08Å; Y52-F60 VanDerWaalsContact CE1-O 3.26Å; Y52-F60 WeakPolarHBondContact CE1-O 3.43Å; V56-F60 HydrophobicContact CB-CB 4.11Å; V56-F60 HydrophobicContact CB-CD1 4.47Å; V56-F60 HydrophobicContact CB-CD2 3.65Å; V56-F60 HydrophobicContact CB-CE2 4.12Å; V56-F60 HydrophobicContact CB-CG 3.84Å; V56-F60 HydrophobicContact CG1-CD2 3.7Å; V56-F60 HydrophobicContact CG1-CE2 3.67Å; V56-F60 HydrophobicContact CG1-CG 4.32Å; V56-F60 HydrophobicContact CG1-CZ 4.26Å; V56-F60 HydrophobicContact CG2-CB 4.37Å; V56-F60 HydrophobicContact CG2-CD2 4.22Å; V56-F60 PolarHBondContact O-N 2.78Å; F60-L73 HydrophobicContact CB-CD1 4.24Å; F60-L73 HydrophobicContact CD2-CD2 4.29Å; F60-Q74 CarbonylContact C-O 3.4Å; F60-Q74 VanDerWaalsContact CA-O 3.29Å; F60-Q74 WeakPolarHBondContact CA-O 3.42Å; F60-M75 HydrophobicContact CD1-CB 3.72Å; F60-M75 HydrophobicContact CD1-CG 3.92Å; F60-M75 HydrophobicContact CD2-CG 4Å; F60-M75 HydrophobicContact CE1-CB 3.65Å; F60-M75 HydrophobicContact CE1-CG 3.97Å; F60-M75 HydrophobicContact CE2-CG 4.02Å; F60-M75 HydrophobicContact CE2-SD 4.15Å; F60-M75 HydrophobicContact CG-CB 4.28Å; F60-M75 HydrophobicContact CG-CG 3.98Å; F60-M75 HydrophobicContact CZ-CB 4.11Å; F60-M75 HydrophobicContact CZ-CG 4.02Å; F60-M75 HydrophobicContact CZ-SD 4.22Å; F60-L78 HydrophobicContact CE1-CD2 3.92Å; F60-L78 HydrophobicContact CZ-CD2 3.9Å; F60-D82 HydrophobicContact CZ-CB 4.18Å; F60-Y86 HydrophobicContact CE2-CE1 4.34Å
61	T	98.4	Very high	96.8	Very high	76 Å²	76	58.1 Å²	58.1	47%	0.466	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	116.2	179.3	-53.9	0	0	0	0	109.5	Y52 Q74	Y52-T61 WeakPolarHBondContact OH-CA 3.23Å; T61-Q74 PolarHBondContact N-O 2.89Å; T61-Q74 PolarHBondContact O-N 3.08Å
62	I	98.6	Very high	96.9	Very high	6 Å²	6	54.7 Å²	54.7	3%	0.031	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	141.4	172.2	-167.6	171	0	0	0	109.3	A41 Y42 I43 T50 Y52 L71 Y72 L73	A41-I62 HydrophobicContact CB-CB 3.78Å; A41-I62 HydrophobicContact CB-CD1 3.97Å; A41-I62 HydrophobicContact CB-CG1 4.41Å; A41-I62 HydrophobicContact CB-CG2 3.98Å; Y42-I62 WeakPolarHBondContact O-CG2 3.46Å; I43-I62 HydrophobicContact CB-CD1 3.93Å; I43-I62 HydrophobicContact CB-CG1 4.15Å; I43-I62 HydrophobicContact CB-CG2 3.96Å; I43-I62 HydrophobicContact CG2-CD1 3.61Å; I43-I62 HydrophobicContact CG2-CG1 3.94Å; T50-I62 HydrophobicContact CG2-CG2 3.76Å; Y52-I62 HydrophobicContact CE1-CB 4.23Å; Y52-I62 HydrophobicContact CE1-CG2 3.86Å; Y52-I62 WeakPolarHBondContact OH-CG2 3.24Å; Y52-I62 PolarHBondContact OH-N 3.29Å; I62-L71 HydrophobicContact CD1-CD1 3.99Å; I62-L71 HydrophobicContact CD1-CD2 4.43Å; I62-L71 HydrophobicContact CD1-CG 4.48Å; I62-L71 HydrophobicContact CG1-CD1 3.99Å; I62-L71 HydrophobicContact CG1-CG 4.49Å; I62-Y72 WeakPolarHBondContact CA-O 3.18Å; I62-L73 HydrophobicContact CB-CD1 4.29Å
63	S	98.4	Very high	97	Very high	44 Å²	44	52.8 Å²	52.8	31%	0.308	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	160.9	174.9	53.1	0	0	0	0	109.8	Y72	S63-Y72 PolarHBondContact N-O 3.41Å; S63-Y72 PolarHBondContact O-N 2.7Å; S63-Y72 WeakPolarHBondContact OG-CB 3.48Å
64	R	97.9	Very high	97.2	Very high	35 Å²	35	55.1 Å²	55.1	13%	0.132	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	148.7	-178.2	64.6	-175.7	-67.7	153.7	2.7	111	F21 Y24 I43 S44 S45 N66 T70 L71	F21-R64 VanDerWaalsContact CD1-NH2 3.32Å; F21-R64 HydrophobicContact CE1-CB 4.08Å; F21-R64 VanDerWaalsContact CE1-NH2 3.29Å; F21-R64 HydrophobicContact CZ-CB 4.08Å; F21-R64 PolarHBondContact O-NH2 2.98Å; Y24-R64 PolarHBondContact O-NH1 2.79Å; I43-R64 HydrophobicContact CD1-CB 4.26Å; I43-R64 HydrophobicContact CD1-CG 3.74Å; I43-R64 HydrophobicContact CG1-CG 4.37Å; S44-R64 WeakPolarHBondContact O-CD 3.21Å; S44-R64 PolarHBondContact O-NH1 3.34Å; S45-R64 PolarHBondContact O-NE 3.37Å; S45-R64 PolarHBondContact O-NH1 2.65Å; S45-R64 PolarHBondContact O-NH2 3.46Å; R64-N66 PolarHBondContact NE-OD1 2.86Å; R64-N66 PolarHBondContact NH2-OD1 3.12Å; R64-T70 WeakPolarHBondContact CA-O 3.18Å; R64-L71 HydrophobicContact CB-CD1 4.19Å
65	D	97.5	Very high	97.3	Very high	41 Å²	41	48.7 Å²	48.7	22%	0.219	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	104.8	170.5	-175.9	-26.2	0	0	0	108.1	A67 K68 N69 T70 Y72	D65-A67 VanDerWaalsContact C-N 3.34Å; D65-A67 PolarHBondContact OD1-N 2.83Å; D65-K68 HydrophobicContact CB-CB 4.2Å; D65-K68 CarbonylContact O-C 3.59Å; D65-K68 PolarHBondContact O-N 2.82Å; D65-K68 PolarHBondContact OD1-N 2.81Å; D65-K68 WeakPolarHBondContact OD2-CD 3.49Å; D65-K68 VanDerWaalsContact OD2-CE 3.28Å; D65-K68 WeakPolarHBondContact OD2-CE 3.27Å; D65-K68 WeakPolarHBondContact OD2-CG 3.48Å; D65-K68 IonicContact OD2-NZ 2.75Å; D65-K68 PolarHBondContact OD2-NZ 3.48Å; D65-N69 PolarHBondContact O-N 3.08Å; D65-T70 PolarHBondContact N-O 2.86Å; D65-T70 PolarHBondContact O-N 2.87Å; D65-Y72 HydrophobicContact CB-CE2 3.9Å
66	N	96.1	Very high	97.5	Very high	59 Å²	59	46.5 Å²	46.5	32%	0.316	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-28.6	-177.4	-76.9	-14	0	0	0	112.7	F21 S45 R64 K68 N69	F21-N66 WeakPolarHBondContact CD1-OD1 3.34Å; F21-N66 WeakPolarHBondContact CE1-OD1 3.38Å; S45-N66 PolarHBondContact O-ND2 3.29Å; R64-N66 PolarHBondContact NE-OD1 2.86Å; R64-N66 PolarHBondContact NH2-OD1 3.12Å; N66-K68 VanDerWaalsContact C-N 3.29Å; N66-N69 PolarHBondContact O-N 2.77Å; N66-N69 PolarHBondContact O-OD1 3.34Å
67	A	95.6	Very high	97.5	Very high	98 Å²	98	49.7 Å²	49.7	81%	0.81	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-30.9	176.6	0	0	0	0	0	111.4	D65	D65-A67 VanDerWaalsContact C-N 3.34Å; D65-A67 PolarHBondContact OD1-N 2.83Å
68	K	96.8	Very high	97.6	Very high	133 Å²	133	43.4 Å²	43.4	58%	0.578	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.7	2.4	178	-61.1	-175.7	-165.8	124	0	114.2	D65 N66 T70	D65-K68 HydrophobicContact CB-CB 4.2Å; D65-K68 CarbonylContact O-C 3.59Å; D65-K68 PolarHBondContact O-N 2.82Å; D65-K68 PolarHBondContact OD1-N 2.81Å; D65-K68 WeakPolarHBondContact OD2-CD 3.49Å; D65-K68 VanDerWaalsContact OD2-CE 3.28Å; D65-K68 WeakPolarHBondContact OD2-CE 3.27Å; D65-K68 WeakPolarHBondContact OD2-CG 3.48Å; D65-K68 IonicContact OD2-NZ 2.75Å; D65-K68 PolarHBondContact OD2-NZ 3.48Å; N66-K68 VanDerWaalsContact C-N 3.29Å; K68-T70 PolarHBondContact O-N 3.18Å; K68-T70 VanDerWaalsContact O-N 3.12Å; K68-T70 PolarHBondContact O-OG1 2.83Å
69	N	96.9	Very high	97.6	Very high	65 Å²	65	44.5 Å²	44.5	35%	0.348	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	47	40.4	-172.5	-60.1	-38.8	0	0	0	112.8	A16 F21 D65 N66	A16-N69 PolarHBondContact N-O 2.72Å; F21-N69 HydrophobicContact CB-CB 3.92Å; F21-N69 WeakPolarHBondContact CB-OD1 3.44Å; F21-N69 HydrophobicContact CD1-CB 4.43Å; F21-N69 HydrophobicContact CG-CB 4.2Å; D65-N69 PolarHBondContact O-N 3.08Å; N66-N69 PolarHBondContact O-N 2.77Å; N66-N69 PolarHBondContact O-OD1 3.34Å
70	T	98	Very high	97.5	Very high	16 Å²	16	46.2 Å²	46.2	10%	0.098	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	129.3	-171.4	-57	0	0	0	0	111.6	C14 R64 D65 K68 Y72	C14-T70 CarbonylContact O-C 3.42Å; C14-T70 WeakPolarHBondContact O-CA 3.21Å; R64-T70 WeakPolarHBondContact CA-O 3.18Å; D65-T70 PolarHBondContact N-O 2.86Å; D65-T70 PolarHBondContact O-N 2.87Å; K68-T70 PolarHBondContact O-N 3.18Å; K68-T70 VanDerWaalsContact O-N 3.12Å; K68-T70 PolarHBondContact O-OG1 2.83Å; T70-Y72 HydrophobicContact CG2-CD1 4.08Å; T70-Y72 HydrophobicContact CG2-CD2 4.41Å; T70-Y72 HydrophobicContact CG2-CE1 3.45Å; T70-Y72 VanDerWaalsContact CG2-CE1 3.45Å; T70-Y72 HydrophobicContact CG2-CE2 3.83Å; T70-Y72 WeakPolarHBondContact CG2-OH 2.87Å
71	L	98.4	Very high	97.4	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	141.7	170.7	-169.7	70.8	0	0	0	110.1	S13 C14 F21 M26 W28 I43 I62 R64 C88	S13-L71 CarbonylContact C-O 3.6Å; S13-L71 VanDerWaalsContact CA-O 3.3Å; S13-L71 WeakPolarHBondContact CA-O 3.41Å; C14-L71 HydrophobicContact CB-CB 4.37Å; C14-L71 PolarHBondContact N-O 3Å; C14-L71 PolarHBondContact O-N 2.89Å; F21-L71 HydrophobicContact CE2-CB 4.25Å; F21-L71 HydrophobicContact CZ-CB 4.14Å; F21-L71 HydrophobicContact CZ-CD1 4.47Å; M26-L71 HydrophobicContact CB-CD1 3.78Å; M26-L71 HydrophobicContact CB-CD2 3.91Å; M26-L71 HydrophobicContact CB-CG 4.42Å; M26-L71 HydrophobicContact CE-CD2 4.46Å; M26-L71 HydrophobicContact CG-CD1 4.49Å; W28-L71 HydrophobicContact CD2-CD2 4.47Å; W28-L71 HydrophobicContact CG-CD2 4.38Å; W28-L71 HydrophobicContact CZ2-CD2 4.43Å; W28-L71 VanDerWaalsContact NE1-CD2 3.29Å; I43-L71 HydrophobicContact CG2-CD1 3.53Å; I62-L71 HydrophobicContact CD1-CD1 3.99Å; I62-L71 HydrophobicContact CD1-CD2 4.43Å; I62-L71 HydrophobicContact CD1-CG 4.48Å; I62-L71 HydrophobicContact CG1-CD1 3.99Å; I62-L71 HydrophobicContact CG1-CG 4.49Å; R64-L71 HydrophobicContact CB-CD1 4.19Å; L71-C88 HydrophobicContact CD2-CB 4.01Å
72	Y	98.4	Very high	97.3	Very high	46 Å²	46	48.3 Å²	48.3	18%	0.18	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	147.7	178.8	-56.6	-78.1	0	0	0	111.7	K11 L12 I62 S63 D65 T70	K11-Y72 VanDerWaalsContact CE-CD1 3.49Å; L12-Y72 VanDerWaalsContact O-CA 3.24Å; L12-Y72 WeakPolarHBondContact O-CA 3.17Å; I62-Y72 WeakPolarHBondContact CA-O 3.18Å; S63-Y72 PolarHBondContact N-O 3.41Å; S63-Y72 PolarHBondContact O-N 2.7Å; S63-Y72 WeakPolarHBondContact OG-CB 3.48Å; D65-Y72 HydrophobicContact CB-CE2 3.9Å; T70-Y72 HydrophobicContact CG2-CD1 4.08Å; T70-Y72 HydrophobicContact CG2-CD2 4.41Å; T70-Y72 HydrophobicContact CG2-CE1 3.45Å; T70-Y72 VanDerWaalsContact CG2-CE1 3.45Å; T70-Y72 HydrophobicContact CG2-CE2 3.83Å; T70-Y72 WeakPolarHBondContact CG2-OH 2.87Å
73	L	98.5	Very high	97.2	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	107.5	168.8	-171.8	67.5	0	0	0	108.7	K11 L12 W28 V40 A41 F60 I62 M75 Y86	K11-L73 CarbonylContact C-O 3.6Å; K11-L73 WeakPolarHBondContact CA-O 3.04Å; L12-L73 HydrophobicContact CB-CB 4.32Å; L12-L73 PolarHBondContact N-O 2.95Å; L12-L73 PolarHBondContact O-N 2.91Å; W28-L73 HydrophobicContact CB-CD2 4.21Å; W28-L73 HydrophobicContact CD2-CB 4.07Å; W28-L73 HydrophobicContact CD2-CD2 4.24Å; W28-L73 HydrophobicContact CG-CB 4.12Å; W28-L73 HydrophobicContact CG-CD1 4.41Å; W28-L73 HydrophobicContact CG-CD2 4.01Å; W28-L73 HydrophobicContact CG-CG 4.42Å; W28-L73 HydrophobicContact CZ2-CB 4.3Å; V40-L73 HydrophobicContact CG1-CD1 4.48Å; V40-L73 HydrophobicContact CG1-CD2 3.89Å; A41-L73 HydrophobicContact CB-CD1 4.13Å; F60-L73 HydrophobicContact CB-CD1 4.24Å; F60-L73 HydrophobicContact CD2-CD2 4.29Å; I62-L73 HydrophobicContact CB-CD1 4.29Å; L73-M75 HydrophobicContact CD2-CG 3.92Å; L73-M75 HydrophobicContact CD2-SD 3.89Å; L73-M75 HydrophobicContact CG-CG 3.84Å; L73-M75 HydrophobicContact CG-SD 4.41Å; L73-Y86 HydrophobicContact CD2-CD1 4.16Å; L73-Y86 HydrophobicContact CD2-CE1 4.32Å
74	Q	98.3	Very high	97.2	Very high	71 Å²	71	47.9 Å²	47.9	33%	0.332	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	122.6	168.8	-178.1	63.3	47.6	0	0	108.1	F60 T61	F60-Q74 CarbonylContact C-O 3.4Å; F60-Q74 VanDerWaalsContact CA-O 3.29Å; F60-Q74 WeakPolarHBondContact CA-O 3.42Å; T61-Q74 PolarHBondContact N-O 2.89Å; T61-Q74 PolarHBondContact O-N 3.08Å
75	M	97.9	Very high	97.2	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	120.1	179.2	-56.3	173.1	-57.6	0	0	108	S9 L10 L12 F60 L73 L78 Y86 L111	S9-M75 CarbonylContact C-O 3.6Å; S9-M75 WeakPolarHBondContact CA-O 3.03Å; S9-M75 WeakPolarHBondContact CB-O 3.36Å; L10-M75 HydrophobicContact CB-CE 3.8Å; L10-M75 HydrophobicContact CD2-CE 3.87Å; L10-M75 HydrophobicContact CG-CE 4.08Å; L10-M75 PolarHBondContact N-O 3.13Å; L10-M75 PolarHBondContact O-N 3.42Å; L12-M75 HydrophobicContact CD1-CE 3.92Å; L12-M75 HydrophobicContact CD1-SD 4.06Å; L12-M75 HydrophobicContact CD2-CE 4.11Å; L12-M75 HydrophobicContact CG-CE 3.64Å; L12-M75 HydrophobicContact CG-SD 4.31Å; F60-M75 HydrophobicContact CD1-CB 3.72Å; F60-M75 HydrophobicContact CD1-CG 3.92Å; F60-M75 HydrophobicContact CD2-CG 4Å; F60-M75 HydrophobicContact CE1-CB 3.65Å; F60-M75 HydrophobicContact CE1-CG 3.97Å; F60-M75 HydrophobicContact CE2-CG 4.02Å; F60-M75 HydrophobicContact CE2-SD 4.15Å; F60-M75 HydrophobicContact CG-CB 4.28Å; F60-M75 HydrophobicContact CG-CG 3.98Å; F60-M75 HydrophobicContact CZ-CB 4.11Å; F60-M75 HydrophobicContact CZ-CG 4.02Å; F60-M75 HydrophobicContact CZ-SD 4.22Å; L73-M75 HydrophobicContact CD2-CG 3.92Å; L73-M75 HydrophobicContact CD2-SD 3.89Å; L73-M75 HydrophobicContact CG-CG 3.84Å; L73-M75 HydrophobicContact CG-SD 4.41Å; M75-L78 HydrophobicContact CB-CD2 3.87Å; M75-L78 HydrophobicContact CB-CG 4.23Å; M75-L78 HydrophobicContact SD-CD2 4.4Å; M75-Y86 HydrophobicContact SD-CE1 4.16Å; M75-L111 HydrophobicContact CE-CD1 4.4Å; M75-L111 HydrophobicContact CE-CD2 3.5Å; M75-L111 HydrophobicContact SD-CD2 3.77Å
76	S	97.6	Very high	97.2	Very high	39 Å²	39	47.1 Å²	47.1	27%	0.273	26%	0.26	S	S	.	.			trans	-115	163.2	173.6	68.7	0	0	0	0	110.9	S9 R59 L78	S9-S76 WeakPolarHBondContact OG-CA 3.39Å; R59-S76 PolarHBondContact O-N 2.82Å; R59-S76 PolarHBondContact O-OG 3.19Å; S76-L78 PolarHBondContact O-N 2.93Å
77	S	96.9	Very high	97.3	Very high	67 Å²	67	46.2 Å²	46.2	47%	0.469	25%	0.253	S	S	.	.	S	Bend	trans	48.4	49.3	179	-57.2	0	0	0	0	112	G8 R59	G8-S77 PolarHBondContact O-N 3Å; R59-S77 PolarHBondContact NH1-O 3Å
78	L	97.4	Very high	97.4	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.005	22%	0.218	C	C	.	.			trans	-62.3	140	-178	-80.3	169.8	0	0	0	111.1	V4 P6 G7 G8 L10 F60 M75 S76 D82 L111 V113	V4-L78 HydrophobicContact CB-CD1 4.13Å; V4-L78 HydrophobicContact CG1-CD1 4.02Å; V4-L78 HydrophobicContact CG2-CD1 4.23Å; P6-L78 CarbonylContact C-O 3.45Å; P6-L78 WeakPolarHBondContact CA-O 3.21Å; G7-L78 PolarHBondContact N-O 2.92Å; G8-L78 PolarHBondContact O-N 3.03Å; G8-L78 VanDerWaalsContact O-N 3.08Å; L10-L78 HydrophobicContact CB-CD1 4.18Å; F60-L78 HydrophobicContact CE1-CD2 3.92Å; F60-L78 HydrophobicContact CZ-CD2 3.9Å; M75-L78 HydrophobicContact CB-CD2 3.87Å; M75-L78 HydrophobicContact CB-CG 4.23Å; M75-L78 HydrophobicContact SD-CD2 4.4Å; S76-L78 PolarHBondContact O-N 2.93Å; L78-D82 HydrophobicContact CD2-CB 3.77Å; L78-L111 HydrophobicContact CD1-CD1 4.43Å; L78-L111 HydrophobicContact CD1-CD2 4.36Å; L78-L111 HydrophobicContact CD2-CD2 3.84Å; L78-V113 HydrophobicContact CB-CG1 4.28Å; L78-V113 HydrophobicContact CB-CG2 4.06Å; L78-V113 HydrophobicContact CD1-CG2 4.39Å; L78-V113 HydrophobicContact CD2-CG2 4.34Å
79	K	96.4	Very high	97.3	Very high	102 Å²	102	35.9 Å²	35.9	44%	0.443	19%	0.191	S	C	.	.			trans	-116.7	163	177.7	-51.7	178.9	-178.3	179	0	110.3	E81 D82 V113	K79-E81 WeakPolarHBondContact CB-OE2 3.48Å; K79-E81 WeakPolarHBondContact CD-OE2 3.18Å; K79-E81 PolarHBondContact O-N 2.83Å; K79-D82 PolarHBondContact N-OD2 3.44Å; K79-D82 WeakPolarHBondContact O-CB 3.49Å; K79-D82 PolarHBondContact O-N 2.93Å; K79-V113 VanDerWaalsContact O-CB 3.29Å; K79-V113 WeakPolarHBondContact O-CB 3.48Å; K79-V113 WeakPolarHBondContact O-CG1 3.46Å; K79-V113 WeakPolarHBondContact O-CG2 3.49Å
80	S	95.4	Very high	97.2	Very high	68 Å²	68	33.8 Å²	33.8	48%	0.476	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-50.3	-39.7	173.4	23.7	0	0	0	0	112.2	D82 T83	S80-D82 PolarHBondContact O-N 2.8Å; S80-T83 VanDerWaalsContact O-CB 3.26Å; S80-T83 WeakPolarHBondContact O-CB 3.45Å; S80-T83 PolarHBondContact O-N 2.68Å; S80-T83 VanDerWaalsContact O-N 3.09Å; S80-T83 PolarHBondContact O-OG1 2.96Å
81	E	94.9	Very high	96.8	Very high	121 Å²	121	33.5 Å²	33.5	57%	0.565	18%	0.176	S	C	*	.	G	3₁₀ helix	trans	-67.5	-13.3	179.9	-51.3	76.5	-123.4	0	0	113.5	K79 T83	K79-E81 WeakPolarHBondContact CB-OE2 3.48Å; K79-E81 WeakPolarHBondContact CD-OE2 3.18Å; K79-E81 PolarHBondContact O-N 2.83Å; E81-T83 VanDerWaalsContact C-N 3.26Å
82	D	96.8	Very high	95.8	Very high	3 Å²	3	33.7 Å²	33.7	2%	0.016	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-84.1	-2.5	174.9	-59.7	-48.8	0	0	0	112.8	R30 R59 F60 L78 K79 S80 A84 Y86 V113	R30-D82 IonicContact NH1-OD1 2.65Å; R30-D82 PolarHBondContact NH1-OD1 2.91Å; R59-D82 IonicContact CZ-OD1 2.96Å; R59-D82 IonicContact CZ-OD2 3.38Å; R59-D82 IonicContact NH1-OD1 3.82Å; R59-D82 IonicContact NH1-OD2 3.48Å; R59-D82 PolarHBondContact NH1-OD2 2.81Å; R59-D82 IonicContact NH2-OD1 2.68Å; R59-D82 PolarHBondContact NH2-OD1 2.02Å; R59-D82 IonicContact NH2-OD2 2.65Å; R59-D82 PolarHBondContact NH2-OD2 3.26Å; F60-D82 HydrophobicContact CZ-CB 4.18Å; L78-D82 HydrophobicContact CD2-CB 3.77Å; K79-D82 PolarHBondContact N-OD2 3.44Å; K79-D82 WeakPolarHBondContact O-CB 3.49Å; K79-D82 PolarHBondContact O-N 2.93Å; S80-D82 PolarHBondContact O-N 2.8Å; D82-A84 PolarHBondContact O-N 3.18Å; D82-Y86 VanDerWaalsContact O-CE2 3.3Å; D82-Y86 WeakPolarHBondContact O-CE2 3.29Å; D82-Y86 PolarHBondContact O-OH 2.83Å; D82-V113 HydrophobicContact CB-CG2 4.45Å
83	T	97.4	Very high	94.4	Very high	35 Å²	35	32.1 Å²	32.1	22%	0.215	18%	0.176	C	C	.	.			trans	-62.9	114.3	172	-63.4	0	0	0	0	110	P33 S80 E81 L111 T112 V113	P33-T83 WeakPolarHBondContact CD-O 3.26Å; S80-T83 VanDerWaalsContact O-CB 3.26Å; S80-T83 WeakPolarHBondContact O-CB 3.45Å; S80-T83 PolarHBondContact O-N 2.68Å; S80-T83 VanDerWaalsContact O-N 3.09Å; S80-T83 PolarHBondContact O-OG1 2.96Å; E81-T83 VanDerWaalsContact C-N 3.26Å; T83-L111 WeakPolarHBondContact CA-O 3.41Å; T83-T112 HydrophobicContact CG2-CG2 4.44Å; T83-V113 PolarHBondContact OG1-N 3.29Å
84	A	97.6	Very high	92.7	Very high	5 Å²	5	36.5 Å²	36.5	4%	0.041	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.3	169.1	-176.4	0	0	0	0	0	111.2	R30 Q31 D82 Y86 L111	R30-A84 HydrophobicContact CB-CB 3.84Å; R30-A84 HydrophobicContact CG-CB 4.15Å; Q31-A84 WeakPolarHBondContact O-CA 3.41Å; Q31-A84 VanDerWaalsContact O-CB 3.27Å; Q31-A84 WeakPolarHBondContact O-CB 3.42Å; D82-A84 PolarHBondContact O-N 3.18Å; A84-Y86 HydrophobicContact CB-CD2 4.21Å; A84-Y86 HydrophobicContact CB-CE2 3.7Å; A84-Y86 WeakPolarHBondContact O-CD2 3.26Å; A84-L111 PolarHBondContact N-O 3.01Å; A84-L111 VanDerWaalsContact N-O 3.08Å; A84-L111 PolarHBondContact O-N 3.49Å
85	M	98.1	Very high	90.7	Very high	59 Å²	59	35.1 Å²	35.1	29%	0.291	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	123	162	-169.9	70.2	76.7	0	0	109	R30 Q31 Y87 T109 T110	R30-M85 CarbonylContact C-O 3.57Å; R30-M85 WeakPolarHBondContact CA-O 3.38Å; Q31-M85 HydrophobicContact CB-CB 4.42Å; Q31-M85 PolarHBondContact N-O 2.92Å; Q31-M85 PolarHBondContact O-N 3.18Å; M85-Y87 HydrophobicContact CB-CE2 3.83Å; M85-Y87 HydrophobicContact CG-CD2 4.38Å; M85-Y87 HydrophobicContact CG-CE1 3.88Å; M85-Y87 HydrophobicContact CG-CE2 3.58Å; M85-Y87 VanDerWaalsContact CG-OH 3.3Å; M85-Y87 WeakPolarHBondContact CG-OH 3.14Å; M85-T109 PolarHBondContact SD-N 2.84Å; M85-T109 VanDerWaalsContact SD-N 3.43Å; M85-T110 WeakPolarHBondContact CE-OG1 3.46Å; M85-T110 PolarHBondContact SD-N 2.97Å; M85-T110 PolarHBondContact SD-OG1 2.77Å; M85-T110 VanDerWaalsContact SD-OG1 3.33Å
86	Y	98.2	Very high	88.7	Confident	1 Å²	1	42 Å²	42	0%	0.004	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	128.8	-178.9	-73.5	-102.2	0	0	0	110.8	L12 V29 R30 V40 F60 L73 M75 D82 A84 G108 T109 L111	L12-Y86 HydrophobicContact CD1-CD1 4.06Å; L12-Y86 HydrophobicContact CD1-CD2 4.3Å; L12-Y86 HydrophobicContact CD1-CG 3.73Å; V29-Y86 CarbonylContact O-C 3.52Å; R30-Y86 HydrophobicContact CB-CD1 3.8Å; R30-Y86 HydrophobicContact CB-CD2 4.38Å; R30-Y86 HydrophobicContact CB-CE1 3.76Å; R30-Y86 HydrophobicContact CB-CE2 4.33Å; R30-Y86 HydrophobicContact CB-CG 4.12Å; R30-Y86 WeakPolarHBondContact CD-OH 3.33Å; R30-Y86 HydrophobicContact CG-CE1 4.37Å; R30-Y86 PolarHBondContact NH1-OH 2.96Å; V40-Y86 HydrophobicContact CG1-CE1 4.41Å; V40-Y86 HydrophobicContact CG2-CD1 4.45Å; V40-Y86 HydrophobicContact CG2-CE1 4.15Å; F60-Y86 HydrophobicContact CE2-CE1 4.34Å; L73-Y86 HydrophobicContact CD2-CD1 4.16Å; L73-Y86 HydrophobicContact CD2-CE1 4.32Å; M75-Y86 HydrophobicContact SD-CE1 4.16Å; D82-Y86 VanDerWaalsContact O-CE2 3.3Å; D82-Y86 WeakPolarHBondContact O-CE2 3.29Å; D82-Y86 PolarHBondContact O-OH 2.83Å; A84-Y86 HydrophobicContact CB-CD2 4.21Å; A84-Y86 HydrophobicContact CB-CE2 3.7Å; A84-Y86 WeakPolarHBondContact O-CD2 3.26Å; Y86-G108 CarbonylContact O-C 3.52Å; Y86-G108 WeakPolarHBondContact O-CA 3.37Å; Y86-T109 PolarHBondContact N-O 2.88Å; Y86-T109 PolarHBondContact O-N 2.85Å; Y86-L111 HydrophobicContact CD2-CB 3.82Å; Y86-L111 HydrophobicContact CD2-CD2 4.38Å; Y86-L111 HydrophobicContact CE2-CB 3.69Å; Y86-L111 HydrophobicContact CE2-CD2 3.67Å; Y86-L111 HydrophobicContact CE2-CG 4.27Å
87	Y	98	Very high	86.7	Confident	41 Å²	41	45.7 Å²	45.7	16%	0.161	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	136.4	180	-52.7	-91.7	0	0	0	109.3	W28 V29 Q31 M85 W105 G106	W28-Y87 WeakPolarHBondContact CA-O 3.47Å; W28-Y87 VanDerWaalsContact CE3-C 3.5Å; V29-Y87 PolarHBondContact N-O 2.8Å; V29-Y87 PolarHBondContact O-N 3.26Å; Q31-Y87 HydrophobicContact CB-CE2 3.76Å; Q31-Y87 PolarHBondContact OE1-OH 3.03Å; Q31-Y87 VanDerWaalsContact OE1-OH 3.08Å; M85-Y87 HydrophobicContact CB-CE2 3.83Å; M85-Y87 HydrophobicContact CG-CD2 4.38Å; M85-Y87 HydrophobicContact CG-CE1 3.88Å; M85-Y87 HydrophobicContact CG-CE2 3.58Å; M85-Y87 VanDerWaalsContact CG-OH 3.3Å; M85-Y87 WeakPolarHBondContact CG-OH 3.14Å; Y87-W105 HydrophobicContact CG-CE3 4.15Å; Y87-W105 HydrophobicContact CG-CZ3 4.4Å; Y87-G106 WeakPolarHBondContact CD1-O 3.36Å
88	C	97	Very high	84.8	Confident	12 Å²	12	45.8 Å²	45.8	8%	0.081	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	144.3	158.9	52	0	0	0	0	108.6	C14 S27 W28 L71 G106	C14-C88 HydrophobicContact CB-CB 3.42Å; C14-C88 VanDerWaalsContact CB-CB 3.42Å; C14-C88 WeakPolarHBondContact CB-SG 3.29Å; C14-C88 WeakPolarHBondContact SG-CB 3.01Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 3Å; S27-C88 CarbonylContact O-C 3.52Å; S27-C88 WeakPolarHBondContact O-CA 3.4Å; W28-C88 HydrophobicContact CE3-CB 4.41Å; W28-C88 HydrophobicContact CH2-CB 4.31Å; W28-C88 HydrophobicContact CZ2-CB 4.41Å; W28-C88 HydrophobicContact CZ3-CB 4.31Å; L71-C88 HydrophobicContact CD2-CB 4.01Å; C88-G106 PolarHBondContact O-N 3.23Å
89	A	95.8	Very high	83.2	Confident	1 Å²	1	50.4 Å²	50.4	1%	0.008	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	146.9	177	0	0	0	0	0	110.3	M26 S27 F102 Y104 W105	M26-A89 WeakPolarHBondContact CE-O 3.3Å; S27-A89 PolarHBondContact N-O 3.25Å; S27-A89 PolarHBondContact O-N 2.82Å; A89-F102 HydrophobicContact CB-CB 4.13Å; A89-F102 HydrophobicContact CB-CD1 3.7Å; A89-F102 HydrophobicContact CB-CE1 4.3Å; A89-F102 HydrophobicContact CB-CG 3.94Å; A89-Y104 CarbonylContact C-O 3.59Å; A89-Y104 WeakPolarHBondContact CA-O 3.44Å; A89-W105 HydrophobicContact CB-CD2 4.08Å; A89-W105 HydrophobicContact CB-CE3 4.25Å; A89-W105 HydrophobicContact CB-CG 4.5Å
90	R	93.7	Very high	81.6	Confident	21 Å²	21	56.7 Å²	56.7	8%	0.079	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	129.7	168.8	-171.1	-179.9	81.4	167.2	14	108.4	F19 Y24 M26 F102 D103 Y104	F19-R90 HydrophobicContact CE2-CG 4.22Å; F19-R90 HydrophobicContact CZ-CB 4.44Å; F19-R90 HydrophobicContact CZ-CG 4.38Å; Y24-R90 HydrophobicContact CD1-CG 4.02Å; Y24-R90 HydrophobicContact CG-CG 3.97Å; M26-R90 HydrophobicContact CE-CB 4.45Å; M26-R90 HydrophobicContact SD-CB 4.15Å; M26-R90 HydrophobicContact SD-CG 4.12Å; R90-F102 WeakPolarHBondContact O-CA 3.41Å; R90-D103 IonicContact CZ-OD1 2.82Å; R90-D103 IonicContact CZ-OD2 3.46Å; R90-D103 IonicContact NE-OD1 3.48Å; R90-D103 PolarHBondContact NE-OD1 3.2Å; R90-D103 IonicContact NE-OD2 3.53Å; R90-D103 PolarHBondContact NE-OD2 2.76Å; R90-D103 VanDerWaalsContact NH2-CG 3.31Å; R90-D103 IonicContact NH2-OD1 3.8Å; R90-D103 PolarHBondContact NH2-OD1 2.75Å; R90-D103 IonicContact NH2-OD2 3.45Å; R90-D103 PolarHBondContact NH2-OD2 2.77Å; R90-D103 PolarHBondContact O-N 3.28Å; R90-Y104 PolarHBondContact N-O 3.36Å; R90-Y104 VanDerWaalsContact NE-CD2 3.31Å; R90-Y104 VanDerWaalsContact NH2-CD2 3.33Å
91	D	89.5	Confident	80.6	Confident	11 Å²	11	60 Å²	60	6%	0.059	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	134	171.8	-67.6	-98.7	0	0	0	108.8	D25 S27 G93 F102	D25-D91 HydrophobicContact CB-CB 4.12Å; D25-D91 PolarHBondContact O-N 3.16Å; S27-D91 WeakPolarHBondContact CB-OD2 3.37Å; S27-D91 PolarHBondContact N-OD2 3.46Å; S27-D91 PolarHBondContact OG-OD1 3.45Å; S27-D91 PolarHBondContact OG-OD2 2.78Å; D91-G93 PolarHBondContact O-N 2.82Å; D91-F102 VanDerWaalsContact OD1-CE1 3.27Å; D91-F102 WeakPolarHBondContact OD1-CE1 3.46Å
92	A	78.1	Confident	80.2	Confident	3 Å²	3	57.3 Å²	57.3	3%	0.025	28%	0.283	C	S	.	.	S	Bend	trans	-72.2	122.4	174.9	0	0	0	0	0	108.8	F99 Y101 D103	A92-F99 HydrophobicContact CB-CB 4.3Å; A92-F99 WeakPolarHBondContact O-CA 3.5Å; A92-F99 WeakPolarHBondContact O-CB 3.24Å; A92-F99 VanDerWaalsContact O-CD2 3.31Å; A92-F99 WeakPolarHBondContact O-CD2 3.39Å; A92-F99 PolarHBondContact O-N 3Å; A92-Y101 HydrophobicContact CB-CD2 3.26Å; A92-Y101 HydrophobicContact CB-CE2 3.1Å; A92-Y101 HydrophobicContact CB-CG 4.16Å; A92-Y101 WeakPolarHBondContact CB-O 3.43Å; A92-Y101 PolarHBondContact N-O 3.01Å; A92-D103 HydrophobicContact CB-CB 4.25Å
93	G	68.8	Low	79.7	Confident	14 Å²	14	60.3 Å²	60.3	14%	0.144	30%	0.299	C	S	.	.	S	Bend	trans	144.8	153.8	-172.8	0	0	0	0	0	112.7	Y24 D91 H97	Y24-G93 WeakPolarHBondContact CD1-O 3.18Å; Y24-G93 WeakPolarHBondContact CE1-O 3.42Å; D91-G93 PolarHBondContact O-N 2.82Å; G93-H97 WeakPolarHBondContact CA-O 3.33Å
94	D	62.1	Low	79.4	Confident	92 Å²	92	65 Å²	65	49%	0.492	31%	0.314	S	S	.	.			trans	-91.7	167.9	160.8	65.5	22.9	0	0	0	109.1	N96 H97	D94-N96 PolarHBondContact O-N 2.91Å; D94-N96 PolarHBondContact OD1-N 3.1Å; D94-H97 PolarHBondContact O-N 2.86Å; D94-H97 IonicContact OD1-ND1 3.23Å
95	G	56.3	Low	79.3	Confident	42 Å²	42	69.8 Å²	69.8	43%	0.433	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	3.9	-175.8	0	0	0	0	0	116.9
96	N	55.9	Low	79.2	Confident	144 Å²	144	68.2 Å²	68.2	77%	0.77	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.8	-14.1	173.1	-71.2	-24.3	0	0	0	114.4	D94	D94-N96 PolarHBondContact O-N 2.91Å; D94-N96 PolarHBondContact OD1-N 3.1Å
97	H	56.7	Low	79	Confident	117 Å²	117	77.1 Å²	77.1	54%	0.542	37%	0.371	S	S	.	.			trans	-141.5	100.9	-178.6	-66.1	81	0	0	0	111.5	G93 D94 F99	G93-H97 WeakPolarHBondContact CA-O 3.33Å; D94-H97 PolarHBondContact O-N 2.86Å; D94-H97 IonicContact OD1-ND1 3.23Å; H97-F99 HydrophobicContact CB-CE2 4.26Å; H97-F99 HydrophobicContact CB-CZ 4.29Å; H97-F99 PolarHBondContact O-N 2.83Å
98	V	56.7	Low	78.9	Confident	69 Å²	69	76.6 Å²	76.6	42%	0.418	38%	0.378	S	S	.	.			trans	-79.4	108.9	170.2	-174.8	0	0	0	0	108.6	D25	D25-V98 WeakPolarHBondContact OD2-CG2 3.38Å
99	F	62.9	Low	78.9	Confident	98 Å²	98	78 Å²	78	43%	0.43	39%	0.387	S	S	.	.			trans	-83.5	139.1	165.2	-56.6	-77.4	0	0	0	109.2	A92 H97 Y101	A92-F99 HydrophobicContact CB-CB 4.3Å; A92-F99 WeakPolarHBondContact O-CA 3.5Å; A92-F99 WeakPolarHBondContact O-CB 3.24Å; A92-F99 VanDerWaalsContact O-CD2 3.31Å; A92-F99 WeakPolarHBondContact O-CD2 3.39Å; A92-F99 PolarHBondContact O-N 3Å; H97-F99 HydrophobicContact CB-CE2 4.26Å; H97-F99 HydrophobicContact CB-CZ 4.29Å; H97-F99 PolarHBondContact O-N 2.83Å; F99-Y101 HydrophobicContact CB-CD1 3.86Å; F99-Y101 HydrophobicContact CB-CE1 3.38Å; F99-Y101 HydrophobicContact CB-CE2 4.37Å; F99-Y101 HydrophobicContact CD1-CE1 4.37Å; F99-Y101 HydrophobicContact CG-CE1 4.02Å; F99-Y101 PolarHBondContact O-N 3.12Å
100	Y	64	Low	78.9	Confident	233 Å²	233	81.3 Å²	81.3	91%	0.914	41%	0.407	S	S	*	.	S	Bend	trans	-72.5	27.1	-174	-61.9	-76.2	0	0	0	115
101	Y	75	Confident	79.1	Confident	139 Å²	139	80.3 Å²	80.3	55%	0.545	40%	0.403	S	S	.	.	S	Bend	trans	-131.6	145.5	178.6	52.7	-93	0	0	0	112	A92 F99	A92-Y101 HydrophobicContact CB-CD2 3.26Å; A92-Y101 HydrophobicContact CB-CE2 3.1Å; A92-Y101 HydrophobicContact CB-CG 4.16Å; A92-Y101 WeakPolarHBondContact CB-O 3.43Å; A92-Y101 PolarHBondContact N-O 3.01Å; F99-Y101 HydrophobicContact CB-CD1 3.86Å; F99-Y101 HydrophobicContact CB-CE1 3.38Å; F99-Y101 HydrophobicContact CB-CE2 4.37Å; F99-Y101 HydrophobicContact CD1-CE1 4.37Å; F99-Y101 HydrophobicContact CG-CE1 4.02Å; F99-Y101 PolarHBondContact O-N 3.12Å
102	F	86.2	Confident	79.4	Confident	63 Å²	63	82.3 Å²	82.3	28%	0.276	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	120.9	178.2	-58.8	-65.8	0	0	0	109.9	V29 A89 R90 D91 W105	V29-F102 HydrophobicContact CG2-CE2 4.04Å; V29-F102 HydrophobicContact CG2-CZ 4.08Å; A89-F102 HydrophobicContact CB-CB 4.13Å; A89-F102 HydrophobicContact CB-CD1 3.7Å; A89-F102 HydrophobicContact CB-CE1 4.3Å; A89-F102 HydrophobicContact CB-CG 3.94Å; R90-F102 WeakPolarHBondContact O-CA 3.41Å; D91-F102 VanDerWaalsContact OD1-CE1 3.27Å; D91-F102 WeakPolarHBondContact OD1-CE1 3.46Å; F102-W105 HydrophobicContact CB-CZ2 3.77Å; F102-W105 VanDerWaalsContact CB-NE1 3.3Å; F102-W105 HydrophobicContact CD2-CH2 4.06Å; F102-W105 AromaticContact CD2-CZ2 3.46Å; F102-W105 HydrophobicContact CD2-CZ2 3.46Å; F102-W105 VanDerWaalsContact CD2-CZ2 3.46Å; F102-W105 HydrophobicContact CE2-CZ2 4.33Å; F102-W105 AromaticContact CG-CZ2 3.88Å; F102-W105 HydrophobicContact CG-CZ2 3.88Å
103	D	86.7	Confident	80.3	Confident	66 Å²	66	82.4 Å²	82.4	35%	0.353	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	-22.3	-175.9	58	2.7	0	0	0	113.9	R90 A92	R90-D103 IonicContact CZ-OD1 2.82Å; R90-D103 IonicContact CZ-OD2 3.46Å; R90-D103 IonicContact NE-OD1 3.48Å; R90-D103 PolarHBondContact NE-OD1 3.2Å; R90-D103 IonicContact NE-OD2 3.53Å; R90-D103 PolarHBondContact NE-OD2 2.76Å; R90-D103 VanDerWaalsContact NH2-CG 3.31Å; R90-D103 IonicContact NH2-OD1 3.8Å; R90-D103 PolarHBondContact NH2-OD1 2.75Å; R90-D103 IonicContact NH2-OD2 3.45Å; R90-D103 PolarHBondContact NH2-OD2 2.77Å; R90-D103 PolarHBondContact O-N 3.28Å; A92-D103 HydrophobicContact CB-CB 4.25Å
104	Y	90.8	Very high	81.4	Confident	133 Å²	133	84.4 Å²	84.4	52%	0.522	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	137.6	173.1	-70.7	-100	0	0	0	111.6	A89 R90	A89-Y104 CarbonylContact C-O 3.59Å; A89-Y104 WeakPolarHBondContact CA-O 3.44Å; R90-Y104 PolarHBondContact N-O 3.36Å; R90-Y104 VanDerWaalsContact NE-CD2 3.31Å; R90-Y104 VanDerWaalsContact NH2-CD2 3.33Å
105	W	95.1	Very high	82.5	Confident	107 Å²	107	86.9 Å²	86.9	41%	0.405	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	138.7	178.5	-68.3	72.5	0	0	0	110.5	V29 Y87 A89 F102	V29-W105 HydrophobicContact CB-CH2 3.93Å; V29-W105 HydrophobicContact CB-CZ3 3.66Å; V29-W105 HydrophobicContact CG1-CH2 3.79Å; V29-W105 HydrophobicContact CG1-CZ3 3.8Å; V29-W105 HydrophobicContact CG2-CH2 3.84Å; V29-W105 HydrophobicContact CG2-CZ3 3.96Å; Y87-W105 HydrophobicContact CG-CE3 4.15Å; Y87-W105 HydrophobicContact CG-CZ3 4.4Å; A89-W105 HydrophobicContact CB-CD2 4.08Å; A89-W105 HydrophobicContact CB-CE3 4.25Å; A89-W105 HydrophobicContact CB-CG 4.5Å; F102-W105 HydrophobicContact CB-CZ2 3.77Å; F102-W105 VanDerWaalsContact CB-NE1 3.3Å; F102-W105 HydrophobicContact CD2-CH2 4.06Å; F102-W105 AromaticContact CD2-CZ2 3.46Å; F102-W105 HydrophobicContact CD2-CZ2 3.46Å; F102-W105 VanDerWaalsContact CD2-CZ2 3.46Å; F102-W105 HydrophobicContact CE2-CZ2 4.33Å; F102-W105 AromaticContact CG-CZ2 3.88Å; F102-W105 HydrophobicContact CG-CZ2 3.88Å
106	G	95.4	Very high	83.8	Confident	25 Å²	25	89.1 Å²	89.1	26%	0.258	45%	0.453	S	S	.	.			trans	-69.1	165.3	167.3	0	0	0	0	0	111.6	Y87 C88 G108	Y87-G106 WeakPolarHBondContact CD1-O 3.36Å; C88-G106 PolarHBondContact O-N 3.23Å; G106-G108 PolarHBondContact O-N 3.2Å; G106-G108 VanDerWaalsContact O-N 3.12Å
107	Q	94.9	Very high	85.3	Confident	189 Å²	189	86.2 Å²	86.2	88%	0.883	44%	0.436	S	S	*	.			trans	-64.9	-15	178.8	-66.2	-62.6	-45	0	0	113.9
108	G	95.5	Very high	86.9	Confident	30 Å²	30	84.5 Å²	84.5	31%	0.309	43%	0.43	S	S	.	.			trans	86	161.1	-178.1	0	0	0	0	0	113.2	Y86 G106	Y86-G108 CarbonylContact O-C 3.52Å; Y86-G108 WeakPolarHBondContact O-CA 3.37Å; G106-G108 PolarHBondContact O-N 3.2Å; G106-G108 VanDerWaalsContact O-N 3.12Å
109	T	96.8	Very high	88.6	Confident	41 Å²	41	85.4 Å²	85.4	25%	0.252	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	135.4	173.7	-156.2	0	0	0	0	111.7	G1 L12 M85 Y86	G1-T109 WeakPolarHBondContact CA-OG1 3.36Å; G1-T109 PolarHBondContact N-OG1 3.42Å; L12-T109 HydrophobicContact CD1-CG2 4.18Å; L12-T109 HydrophobicContact CD2-CG2 3.88Å; M85-T109 PolarHBondContact SD-N 2.84Å; M85-T109 VanDerWaalsContact SD-N 3.43Å; Y86-T109 PolarHBondContact N-O 2.88Å; Y86-T109 PolarHBondContact O-N 2.85Å
110	T	96.6	Very high	90.3	Very high	70 Å²	70	84.6 Å²	84.6	43%	0.429	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	129.9	-177.3	-47.1	0	0	0	0	110.7	G1 G2 M85	G1-T110 CarbonylContact C-O 3.52Å; G1-T110 WeakPolarHBondContact CA-O 3.41Å; G2-T110 PolarHBondContact N-O 3.25Å; G2-T110 VanDerWaalsContact N-O 3.08Å; M85-T110 WeakPolarHBondContact CE-OG1 3.46Å; M85-T110 PolarHBondContact SD-N 2.97Å; M85-T110 PolarHBondContact SD-OG1 2.77Å; M85-T110 VanDerWaalsContact SD-OG1 3.33Å
111	L	96.3	Very high	92	Very high	0 Å²	0	74.7 Å²	74.7	0%	0	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	126.8	165.3	174.3	62.4	0	0	0	108.2	G2 V4 L10 M75 L78 T83 A84 Y86 V113	G2-L111 WeakPolarHBondContact O-CD1 3.44Å; V4-L111 HydrophobicContact CG2-CD1 4.01Å; L10-L111 HydrophobicContact CD2-CD1 3.46Å; L10-L111 VanDerWaalsContact CD2-CD1 3.46Å; M75-L111 HydrophobicContact CE-CD1 4.4Å; M75-L111 HydrophobicContact CE-CD2 3.5Å; M75-L111 HydrophobicContact SD-CD2 3.77Å; L78-L111 HydrophobicContact CD1-CD1 4.43Å; L78-L111 HydrophobicContact CD1-CD2 4.36Å; L78-L111 HydrophobicContact CD2-CD2 3.84Å; T83-L111 WeakPolarHBondContact CA-O 3.41Å; A84-L111 PolarHBondContact N-O 3.01Å; A84-L111 VanDerWaalsContact N-O 3.08Å; A84-L111 PolarHBondContact O-N 3.49Å; Y86-L111 HydrophobicContact CD2-CB 3.82Å; Y86-L111 HydrophobicContact CD2-CD2 4.38Å; Y86-L111 HydrophobicContact CE2-CB 3.69Å; Y86-L111 HydrophobicContact CE2-CD2 3.67Å; Y86-L111 HydrophobicContact CE2-CG 4.27Å; L111-V113 HydrophobicContact CD2-CG2 4.44Å; L111-V113 HydrophobicContact CG-CG2 4.22Å
112	T	96.8	Very high	93.2	Very high	53 Å²	53	70.1 Å²	70.1	33%	0.325	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	127.9	173.6	-55.4	0	0	0	0	109.2	G2 L3 V4 T83	G2-T112 PolarHBondContact O-N 3.06Å; L3-T112 WeakPolarHBondContact CA-O 3.28Å; L3-T112 HydrophobicContact CD1-CG2 3.77Å; V4-T112 PolarHBondContact N-O 3.03Å; T83-T112 HydrophobicContact CG2-CG2 4.44Å
113	V	95.9	Very high	93.8	Very high	6 Å²	6	70.7 Å²	70.7	4%	0.036	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	102.8	175.2	-171.6	0	0	0	0	109	V4 P6 L78 K79 D82 T83 L111	V4-V113 VanDerWaalsContact O-CA 3.23Å; V4-V113 WeakPolarHBondContact O-CA 3.22Å; P6-V113 HydrophobicContact CB-CG1 4.42Å; P6-V113 HydrophobicContact CG-CG1 4.11Å; L78-V113 HydrophobicContact CB-CG1 4.28Å; L78-V113 HydrophobicContact CB-CG2 4.06Å; L78-V113 HydrophobicContact CD1-CG2 4.39Å; L78-V113 HydrophobicContact CD2-CG2 4.34Å; K79-V113 VanDerWaalsContact O-CB 3.29Å; K79-V113 WeakPolarHBondContact O-CB 3.48Å; K79-V113 WeakPolarHBondContact O-CG1 3.46Å; K79-V113 WeakPolarHBondContact O-CG2 3.49Å; D82-V113 HydrophobicContact CB-CG2 4.45Å; T83-V113 PolarHBondContact OG1-N 3.29Å; L111-V113 HydrophobicContact CD2-CG2 4.44Å; L111-V113 HydrophobicContact CG-CG2 4.22Å
114	S	92.9	Very high	94.3	Very high	55 Å²	55	71.1 Å²	71.1	39%	0.385	40%	0.401	S	S	.	.			trans	-147.9	155.8	-180	68.5	0	0	0	0	111.7	L3 V4	L3-S114 WeakPolarHBondContact CD1-OG 3.41Å; V4-S114 PolarHBondContact O-N 2.75Å; V4-S114 VanDerWaalsContact O-N 3.12Å
115	S	85	Confident	94.7	Very high	144 Å²	144	65.5 Å²	65.5	100%	1.007	39%	0.39	S	S	*	.			trans	-75.6	0	179.4	57.6	0	0	0	0	113.1

Retrieved 115 of 115 residues in 52.9 ms (Link to these results)

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